Functional Molecules 50 Recent Publications
2024
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Influence of symmetry breaking on the absorption spectrum of crystal violet: from isolated cations at 5 K to room temperature solutions
Schäfer, A.; Giannini, S.; Strelnikov, D.; Mohr, T.; Santoro, F.; Cerezo, J.; Kappes, M. M.
2024. Physical Chemistry Chemical Physics, 26 (45), 28514–28524. doi:10.1039/D4CP03825H -
Pt
Gojare, S.; Bumüller, D.; Kohaut, S.; Kraft, M.; Heiz, U.; Kappes, M. M.; Fink, K.; Schooss, D.
2024. ChemPhysChem, 25 (23). doi:10.1002/cphc.202400649 -
On the remarkable resistance to oxidation by the Bi
Ma, J.; Chen, T.-T.; Li, H.; Bumüller, D.; Weigend, F.; Jian, T.; Kappes, M. M.; Schooss, D.; Li, W.-L.; Xing, X.-P.; Wang, L.-S.
2024. Science Advances, 10 (44). doi:10.1126/sciadv.ads4724 -
Longitudinal and Transverse
Nasser Din, R.; Venu, A. C.; Rudszuck, T.; Vallet, A.; Favier, A.; Powell, A. K.; Guthausen, G.; Ibrahim, M.; Krämer, S.
2024. Molecules, 29 (20), 4956. doi:10.3390/molecules29204956 -
Novel copper-drugs bearing dipodal bis-mercaptobenzimidazoles: Synthesis, crystal structures, in vitro biological activities, DNA binding, DFT calculations and molecular docking
Kia, M.; Ghassemzadeh, M.; Eslami Moghadam, M.; Saeidifar, M.; Mohsenzadeh, F.; Fuhr, O.; Fenske, D.
2024. Journal of Molecular Liquids, 413, Art.-Nr. 125972. doi:10.1016/j.molliq.2024.125972 -
Modulating the photolysis of aryl azides in a supramolecular host to develop photoactivatable fluorophores
Qiu, X.; Pohl, E.; Jung, A.; Cai, Q.; Su, H.; Fuhr, O.; Schepers, U.; Bräse, S.
2024. Chemical Communications, 60 (88), 12856–12859. doi:10.1039/d4cc03907f -
A simple method to modulate the selectivity of aryl azide photolysis using cucurbit[8]uril
Qiu, X.; Cai, Q.; Pohl, E.; Jung, A.; Su, H.; Fuhr, O.; Schepers, U.; Bräse, S.
2024. Chemical Communications, 60 (88), 12852–12855. doi:10.1039/d4cc04209c -
Spin-bearing molecules as optically addressable platforms for quantum technologies
Kumar, S. K.; Hunger, D.; Ruben, M.; Goldner, P.; Serrano, D.
2024. Nanophotonics. doi:10.1515/nanoph-2024-0420 -
Self‐Assembly of four Ni
Dais, T. N.; Schlittenhardt, S.; Ruben, M.; Anson, C. E.; Powell, A. K.; Plieger, P. G.
2024. Chemistry – An Asian Journal. doi:10.1002/asia.202400381 -
Synthesis of substituted triazole–pyrazole hybrids using triazenylpyrazole precursors
Gräßle, S.; Holzhauer, L.; Wippert, N.; Fuhr, O.; Nieger, M.; Jung, N.; Bräse, S.
2024. Beilstein Journal of Organic Chemistry, 20, 1396 – 1404. doi:10.3762/bjoc.20.121 -
Magnetic behaviour of a spin-canted asymmetric lanthanide quinolate trimer
Batista, L.; Paul, S.; Molina-Jirón, C.; Jaén, J. A.; Fenske, D.; Fuhr, O.; Ruben, M.; Wernsdorfer, W.; Moreno-Pineda, E.
2024. Dalton Transactions, 53 (31), 12927–12935. doi:10.1039/D4DT01588F -
Microwave-assisted synthesis of 2,5-dioxo-pyrano[3,2-c]quinoline-3-carboxylates and their investigation as antiproliferative agents targeting EGFR and/or BRAF
Aly, A. A.; El-Naby, H. A. A.; Ahmed, E. K.; Shaker, R. M.; Gedamy, S. A.; Youssif, B. G. M.; Gomaa, H. A. M.; Fuhr, O.; Brown, A. B.; Ibrahim, M. A. A.; El-Haleem, L. E. A.
2024. Chemical Papers, 78 (12), 7187–7199. doi:10.1007/s11696-024-03599-9 -
Spectral Hole‐Burning Studies of a Mononuclear Eu(III) Complex Reveal Narrow Optical Linewidths of the ⁵D₀ → ⁷F₀ Transition and Seconds Long Nuclear Spin Lifetimes
Schlittenhardt, S.; Vasilenko, E.; Unni C., V.; Jobbitt, N.; Fuhr, O.; Hunger, D.; Ruben, M.; Kuppusamy, S. K.
2024. ChemPhysChem, 25 (19), e202400280. doi:10.1002/cphc.202400280 -
Dual Role of a Novel Heteroleptic Cu(I) Complex in Visible‐Light‐Driven CO₂ Reduction
Bruschi, C.; Gui, X.; Rauthe, P.; Fuhr, O.; Unterreiner, A.-N.; Klopper, W.; Bizzarri, C.
2024. Chemistry – A European Journal, 30 (44), e202400765. doi:10.1002/chem.202400765 -
Acriflavine Is More than It Seems: Resolving Optical Properties of Multiple Isomeric Constituents at 5 K
Schäfer, A.; Debnath, S.; Tränkle, J.; Mohr, T.; Kappes, M. M.
2024. The Journal of Physical Chemistry Letters, 15 (28), 7295 – 7301. doi:10.1021/acs.jpclett.4c01517 -
Performance of density-functional-theory and random-phase-approximation methods on the study of transition-metal clusters: the Ta
Flores, J. R.; Schooß, D.; Klopper, W.
2024. Molecular Physics, Art.-Nr.: e2368719. doi:10.1080/00268976.2024.2368719 -
A new azine-based ferrocenophane for azo dyes degradation in dark–ambient conditions
Sharifi, S.; Mesbah, A. W.; Golsanamlou, S.; Tarlani, A.; Ghassemzadeh, M.; Iravani, E.; Fuhr, O.; Fenske, D.
2024. Surfaces and Interfaces, 51, Art.-Nr.: 104551. doi:10.1016/j.surfin.2024.104551 -
Gaining Insights into the Interplay between Optical and Magnetic Properties in Photoexcited Coordination Compounds
Braun, J.; Powell, A. K.; Unterreiner, A.-N.
2024. Chemistry – A European Journal, 30 (43), Art.-Nr.: e202400977. doi:10.1002/chem.202400977 -
Noisy qudit vs multiple qubits: conditions on gate efficiency for enhancing fidelity
Janković, D.; Hartmann, J.-G.; Ruben, M.; Hervieux, P.-A.
2024. npj Quantum Information, 10 (1), Art.-Nr.: 59. doi:10.1038/s41534-024-00829-6 -
Polymers of Intrinsic Microporosity Containing [2.2]Paracyclophane Moieties: Synthesis and Gas Sorption Properties
Li, Y.; Brückel, J.; Jereb, M.; Zupanc, A.; Hirvonen, S.-P.; Hietala, S.; Kemell, M.; Wu, Y.; Fuhr, O.; Jansen-van Vuuren, R. D.; Carta, M.; Bräse, S.
2024. Advanced Functional Materials, 34 (47), Art.-Nr.: 2401957. doi:10.1002/adfm.202401957 -
Correction: Computational demonstration of isomer- and spin-state-dependent charge transport in molecular junctions composed of charge-neutral iron( ii ) spin-crossover complexes
Montenegro-Pohlhammer, N.; Kuppusamy, S. K.; Cárdenas-Jirón, G.; Calzado, C. J.; Ruben, M.
2024. Dalton Transactions, 53 (23), 10019. doi:10.1039/d4dt90088j -
A bithiophene-substituted porphyrin displaying multi-electron redox processes as a cathode for lithium organic batteries
Chowdhury, S.; Jana, S.; Klyatskaya, S.; Ruben, M.
2024. Journal of Porphyrins and Phthalocyanines, 28 (05), 253–259. doi:10.1142/S1088424624500184 -
On the Spectroscopy of Phosphaalkynes: Millimeter- and Submillimeter-Wave Study of C
Bonah, L.; Schlemmer, S.; Guillemin, J.-C.; Harding, M. E.; Thorwirth, S.
2024. The Journal of Physical Chemistry A, 128 (24), 4859–4866. doi:10.1021/acs.jpca.4c02566 -
Substituted Pyrrole‐based Schiff Bases: Effect On The Luminescence Of Neutral Heteroleptic Cu(I) Complexes
Ferraro, V.; Fuhr, O.; Bizzarri, C.; Bräse, S.
2024. European Journal of Inorganic Chemistry, 27 (17), Art.-Nr.: e202400080. doi:10.1002/ejic.202400080 -
Cycloheptatrienyl-Bridged Triple-Decker Complexes
Hauser, A.; Münzfeld, L.; Schlittenhardt, S.; Uhlmann, C.; Leyen, L.; Moreno-Pineda, E.; Ruben, M.; Roesky, P. W.
2024. Journal of the American Chemical Society, 146 (20), 13760–13769. doi:10.1021/jacs.3c12214 -
Yb-to-Eu Cooperative Sensitization Upconversion in a Multifunctional Molecular Nonanuclear Lanthanide Cluster in Solution
Panguluri, S. P. K.; Jourdain, E.; Chakraborty, P.; Klyatskaya, S.; Kappes, M. M.; Nonat, A. M.; Charbonnière, L. J.; Ruben, M.
2024. Journal of the American Chemical Society, 146 (19), 13083–13092. doi:10.1021/jacs.3c14527 -
A Novel Carbazolophane: A Comparison of the Performance of Two Planar Chiral CP‐TADF Emitters
Seibert, J.; Xu, Y.; Hafeez, H.; Podlech, J.; Favereau, L.; Spuling, E.; Waldhelm, C.; Nieger, M.; Fuhr, O.; Hassan, Z.; Crassous, J.; Samuel, I. D. W.; Zysman-Colman, E.; Bräse, S.
2024. Advanced Functional Materials, 34 (47), Art.-Nr.: 2401956. doi:10.1002/adfm.202401956 -
Continuous flow synthesis of atom-precise platinum clusters
Schmitt, C.; Da Roit, N.; Neumaier, M.; Maliakkal, C. B.; Wang, D.; Henrich, T.; Kübel, C.; Kappes, M.; Behrens, S.
2024. Nanoscale Advances. doi:10.1039/d4na00074a -
Correlation Measurements for Carbon Nanotubes with Quantum Defects
Li, M.-K.; Dehm, S.; Kappes, M. M.; Hennrich, F.; Krupke, R.
2024. ACS Nano, 18 (13), 9525–9534. doi:10.1021/acsnano.3c12530 -
Unique Double and Triple Decker Arrangements of Rare‐Earth 9,10‐Diborataanthracene Complexes Featuring Single‐Molecule Magnet Characteristics
Uhlmann, C.; Münzfeld, L.; Hauser, A.; Ruan, T.-T.; Kumar Kuppusamy, S.; Jin, C.; Ruben, M.; Fink, K.; Moreno-Pineda, E.; Roesky, P. W.
2024. Angewandte Chemie - International Edition, 63 (17), Art.-Nr.: e202401372. doi:10.1002/anie.202401372 -
Modulating and Accelerating Photolysis of Photoactivatable [2.2]Paracyclophane Aryl Azide in Supramolecular Host for Bioimaging
Qiu, X.; Pohl, E.; Cai, Q.; Seibert, J.; Li, Y.; Leopold, S.; Fuhr, O.; Meier, M. A. R.; Schepers, U.; Bräse, S.
2024. Advanced Functional Materials, Art.-Nr.: 2401938. doi:10.1002/adfm.202401938 -
Synthesis and characterization of new palladium (II) and silver (I) thiosemicarbazone derived by acenaphthenequinone complexes and their antimicrobial activity
Aly, A. A.; Abdallah, E. M.; Ahmed, S. A.; Rabee, M. M.; Fuhr, O.; Ibrahim, M. A. A.; Ali Alzahrani, H.; Youssif, B. G. M.
2024. Polyhedron, 251, Art.-Nr.: 116851. doi:10.1016/j.poly.2024.116851 -
Reversing the stereoselectivity of intramolecular [2+2] photocycloaddition utilizing cucurbit[8]uril as a molecular flask
Qiu, X.; Seibert, J.; Fuhr, O.; Biedermann, F.; Bräse, S.
2024. Chemical Communications, 60 (24), 3267–3270. doi:10.1039/D3CC05783F -
Synthesis of Mono‐, Di‐, Tri‐, and Tetra‐cationic Pyridinium and Vinylpyridinium Modified [2.2]Paracyclophanes: Modular Receptors for Supramolecular Systems
Wang, Y.; Li, Y.; Fuhr, O.; Nieger, M.; Hassan, Z.; Bräse, S.
2024. ChemistryOpen, 13 (8), e202400024. doi:10.1002/open.202400024 -
Vibrational properties of a mononuclear dysprosium containing singlemolecule magnet
Tummeley, M. A. M.; Hoock, M. H.; Gröpl, K.; Pfleger, R.; Hochdörffer, T.; Hunsicker, T.; Wolny, J. A.; Zhao, J.; Lavina, B.; Hu, M. Y.; Toellner, T.; Alp, E. E.; Kämmerer, H.; Anson, C. E.; Powell, A. K.; Schünemann, V.
2024. Hyperfine Interactions, 245 (1), 18. doi:10.1007/s10751-024-01857-6 -
Constructing [2.2]Paracyclophane‐Based Ultrasensitive Optical Fluorescent‐Phosphorescent Thermometer with Cucurbit[8]uril Supramolecular Assembly
Qiu, X.; Zheng, T.; Runowski, M.; Woźny, P.; Martín, I. R.; Soler-Carracedo, K.; Piñero, C. E.; Lebedkin, S.; Fuhr, O.; Bräse, S.
2024. Advanced Functional Materials, 34 (47), Art.-Nr.: 2313517. doi:10.1002/adfm.202313517 -
π‐Conjugated Metal Free Porphyrin as Organic Cathode for Aluminum Batteries
Chowdhury, S.; Sabi, N.; Rojano, R. C.; Le Breton, N.; Boudalis, A. K.; Klayatskaya, S.; Dsoke, S.; Ruben, M.
2024. Batteries & Supercaps, 7 (4), Art.-Nr.: e202300285. doi:10.1002/batt.202300285 -
From Mono- to Polynuclear 2-(Diphenylphosphino)pyridine-Based Cu(I) and Ag(I) Complexes: Synthesis, Structural Characterization, and DFT Calculations
Busch, J. M.; Rehak, F. R.; Ferraro, V.; Nieger, M.; Kemell, M.; Fuhr, O.; Klopper, W.; Bräse, S.
2024. ACS Omega, 9 (2), 2220–2233. doi:10.1021/acsomega.3c05755 -
It’s not just the size that matters: crystal engineering of lanthanide-based coordination polymers
Hauser, A.; Münzfeld, L.; Uhlmann, C.; Lebedkin, S.; Schlittenhardt, S.; Ruan, T.-T.; Kappes, M. M.; Ruben, M.; Roesky, P. W.
2024. Chemical Science, 15 (4), 1338–1347. doi:10.1039/d3sc03746k
2023
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Synthesis and Antiproliferative Potential of Thiazole and 4-Thiazolidinone Containing Motifs as Dual Inhibitors of EGFR and BRAFV600E
Hassan, A. A.; Mohamed, N. K.; Aly, A. A.; Ramadan, M.; Gomaa, H. A. M.; Abdel-Aziz, A. T.; Youssif, B. G. M.; Bräse, S.; Fuhr, O.
2023. Molecules, 28 (24), Article no: 7951. doi:10.3390/molecules28247951 -
Hot luminescence from single-molecule chromophores electrically and mechanically self-decoupled by tripodal scaffolds
Rai, V.; Balzer, N.; Derenbach, G.; Holzer, C.; Mayor, M.; Wulfhekel, W.; Gerhard, L.; Valášek, M.
2023. Nature Communications, 14 (1), Art.-Nr.: 8253. doi:10.1038/s41467-023-43948-y -
Vibrationally Resolved Absorption, Fluorescence, and Preresonance Raman Spectroscopy of Isolated Pyronin Y Cation at 5 K
Debnath, S.; Schäfer, A.; Ito, S.; Strelnikov, D.; Schneider, R.; Haupa, K. A.; Kappes, M. M.
2023. The Journal of Physical Chemistry Letters, 14 (47), 10553 – 10560. doi:10.1021/acs.jpclett.3c02651 -
Selectivity control towards CO versus H
Gracia, L.-L.; Henkel, P.; Fuhr, O.; Bizzarri, C.
2023. Beilstein Journal of Organic Chemistry, 19, 1766–1775. doi:10.3762/bjoc.19.129 -
Experimental and computational study of the exchange interaction between the V(III) centers in the vanadium-cyclal dimer
Reiß, A.; Reimann, M. K.; Jin, C.; Wachter-Lehn, M.; Kremer, R. K.; Pöttgen, R.; Fink, K.; Klopper, W.; Feldmann, C.
2023. Dalton Transactions, 52 (46), 17389–17397. doi:10.1039/D3DT03243D -
Neutral cobalt( ii )-bis(benzimidazole)pyridine field-induced single-ion magnets for surface deposition
Juráková, J.; Fellner, O. F.; Schlittenhardt, S.; Vavrečková, Š.; Nemec, I.; Herchel, R.; Čižmár, E.; Santana, V. T.; Orlita, M.; Gentili, D.; Ruani, G.; Cavallini, M.; Neugebauer, P.; Ruben, M.; Šalitroš, I.
2023. Inorganic Chemistry Frontiers, 10 (18), 5406–5419. doi:10.1039/d3qi00931a -
Structures and Properties of a Series of High-Spin [Co II 2 ] Complexes Supported by Ancillary Benzoate, Ortho -Hydroxybenzoate, and Para -Hydroxybenzoate Ligands
Sk, S.; Biswas, S.; Dutta, N.; Das, A.; Suryadevara, N.; Vijaykumar, G.; Bhunia, P.; Ruben, M.; Mandal, S.; Bera, M.
2023. Crystal Growth & Design, 23 (8), 5925–5940. doi:10.1021/acs.cgd.3c00521 -
Non-Palindromic C∧C∧P Platinum and Palladium Pincer Complexes Showing Intense Phosphorescence via Direct Spin-Forbidden S
Höhn, V.; Feuerstein, W.; Rehak, F. R.; Kehry, M.; Lebedkin, S.; Kappes, M. M.; Klopper, W.; Breher, F.
2023. Inorganic Chemistry, 62 (38), 15627–15640. doi:10.1021/acs.inorgchem.3c02339 -
Heteroleptic copper(I) complexes with coumarin-substituted aminodiphosphine and diimine ligands: synthesis and photophysical studies
Naina, V. R.; Singh, A. K.; Shubham; Krätschmer, F.; Lebedkin, S.; Kappes, M. M.; Roesky, P. W.
2023. Dalton Transactions, 52 (36), 12618–12622. doi:10.1039/D3DT02317F -
Hilbert Space in Isotopologue Dy(III) SMM Dimers: Dipole Interaction Limit in [
Ruan, T.-T.; Moreno-Pineda, E.; Schulze, M.; Schlittenhardt, S.; Brietzke, T.; Holdt, H.-J.; Kuppusamy, S. K.; Wernsdorfer, W.; Ruben, M.
2023. Inorganic Chemistry, 62 (37), 15148–15156. doi:10.1021/acs.inorgchem.3c02246 -
Hierarchical Self-Assembly and Conformation of Tb Double-Decker Molecular Magnets: Experiment and Molecular Dynamics
Lawes, P.; Boero, M.; Barhoumi, R.; Klyatskaya, S.; Ruben, M.; Bucher, J.-P.
2023. Nanomaterials, 13 (15), Art.-Nr.: 2232. doi:10.3390/nano13152232
Functional Molecules Publications 2010-2020
2020
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Solvent-Driven Supramolecular Wrapping of Self-Assembled Structures
Moreno-Alcántar, G.; Aliprandi, A.; Rouquette, R.; Pesce, L.; Wurst, K.; Perego, C.; Brüggeller, P.; Pavan, G. M.; Cola, L. D.
2020. Angewandte Chemie / International edition, 60 (10), 5407–5413. doi:10.1002/anie.202013474 -
Selective Coordination of Self-Assembled Hexanuclear [Ni
Bhanja, A.; Schulze, M.; Herchel, R.; Moreno-Pineda, E.; Wernsdorfer, W.; Ray, D.
2020. Inorganic chemistry, 59 (24), 17929–17944. doi:10.1021/acs.inorgchem.0c02148 -
Encapsulation of Au
Liu, J.; Heidrich, S.; Liu, J.; Guo, B.; Zharnikov, M.; Simon, U.; Wenzel, W.; Wöll, C.
2020. ACS applied nano materials, 4 (1), 522–528. doi:10.1021/acsanm.0c02842 -
Varying the Dimensionality of Cu(II)-Based Coordination Polymers Through Solvent Influence
Kühne, I. A.; Carter, A. B.; Kostakis, G. E.; Anson, C. E.; Powell, A. K.
2020. Crystals, 10 (10), Art. Nr.: 893. doi:10.3390/cryst10100893 -
The Effect of Substituents on the Formation of Silyl [PSiP] Pincer Cobalt(I) Complexes and Catalytic Application in Both Nitrogen Silylation and Alkene Hydrosilylation
Dong, Y.; Zhang, P.; Fan, Q.; Du, X.; Xie, S.; Sun, H.; Li, X.; Fuhr, O.; Fenske, D.
2020. Inorganic chemistry, 59 (22), 16489–16499. doi:10.1021/acs.inorgchem.0c02332 -
A versatile Diels–Alder approach to functionalized hydroanthraquinones
Beck, J.; Fuhr, O.; Nieger, M.; Bräse, S.
2020. Royal Society Open Science, 7 (11), Article: 200626. doi:10.1098/rsos.200626 -
Unprecedented palladium(II) complex containing dipodal 1,3,4-thiadiazole derivatives: synthesis, structure, and biological and thermal investigations
Heidari, L.; Ghassemzadeh, M.; Fenske, D.; Fuhr, O.; Saeidifar, M.; Mohsenzadeh, F.
2020. New journal of chemistry, 44 (39), 16769–16775. doi:10.1039/d0nj02918a -
The effect of anion complexation on the aromatic properties of aromatic and antiaromatic porphyrinoids
Valiev, R. R.; Valiulina, L. I.; Fliegl, H.; Sundholm, D.
2020. New journal of chemistry, 44 (47), 20643–20650. doi:10.1039/D0NJ04470A -
Emission dynamics of conjugated oligomer (BECV-DHF)/quantum dot perovskite composites in solutions
Aljaafreh, M. J.; Prasad, S.; AlSalhi, M. S.; Lemmer, U.; Alahmed, Z. A.; Baloch, M. A.
2020. Colloids and surfaces / A, 610, Art.-Nr.: 125911. doi:10.1016/j.colsurfa.2020.125911 -
Buffer Influence on the Amino Acid Silica Interaction
Bag, S.; Rauwolf, S.; Suyetin, M.; Schwaminger, S. P.; Wenzel, W.; Berensmeier, S.
2020. ChemPhysChem, 21 (20), 2347–2356. doi:10.1002/cphc.202000572 -
Designing and understanding light-harvesting devices with machine learning
Häse, F.; Roch, L. M.; Friederich, P.; Aspuru-Guzik, A.
2020. Nature Communications, 11 (1), Art.-Nr.: 4587. doi:10.1038/s41467-020-17995-8 -
The influence of sorbitol doping on aggregation and electronic properties of PEDOT:PSS: a theoretical study
Friederich, P.; León, S.; Perea, J. D.; Roch, L. M.; Aspuru-Guzik, A.
2020. Machine learning: science and technology, 2 (1), Art.Nr. 01LT01. doi:10.1088/2632-2153/ab983b -
Self-referencing embedded strings (SELFIES): A 100% robust molecular string representation
Krenn, M.; Häse, F.; Nigam, A.; Friederich, P.; Aspuru-Guzik, A.
2020. Machine learning: science and technology, 1 (4), Art.-Nr.: 045024. doi:10.1088/2632-2153/aba947 -
A Series of Homoleptic Linear Trimethylsilylchalcogenido Cuprates, Argentates and Aurates Cat[Me
Guschlbauer, J.; Vollgraff, T.; Xie, X.; Weigend, F.; Sundermeyer, J.
2020. Inorganic chemistry, 59, 17565–17572. doi:10.1021/acs.inorgchem.0c02808 -
Halogenated Terephthalic Acid "Antenna Effects" in Lanthanide-SURMOF Thin Films
Santos, J. C. C.; Pramudya, Y.; Krstić, M.; Chen, D.-H.; Neumeier, B. L.; Feldmann, C.; Wenzel, W.; Redel, E.
2020. ACS applied materials & interfaces, 12 (46), 52166–52174. doi:10.1021/acsami.0c15392 -
The Interplay of Conformation and Electronic Structure in Metal Organic Frameworks
Pramudya, Y.; Kozlowska, M.; Heidrich, S.; Krstić, M.; Haldar, R.; Neumann, T.; Schlöder, T.; Zhang, Q.; Symalla, F.; Hassan, Z. M.; Liu, X.; Heinke, L.; Wöll, C.; Wenzel, W.
2020. ECS transactions, 98 (8), 3–13. doi:10.1149/09808.0003ecst -
A multifunctional use of bis(methylene)bis(5-bromo-2-hydroxyl salicyloylhydrazone): From metal sensing to ambient catalysis of A3 coupling reactions
Peewasan, K.; Merkel, M. P.; Fuhr, O.; Anson, C. E.; Powell, A. K.
2020. RSC Advances, 10 (67), 40739–40744. doi:10.1039/d0ra07687b -
Synthesis, Characterization, Electrochemistry, Photoluminescence and Magnetic Properties of a Dinuclear Erbium(III)-Containing Monolacunary Dawson-Type Tungstophosphate: [{Er(H2O)(CH3COO)(P2W17O61)}2]16−
Ibrahim, M.; Baksi, A.; Peng, Y.; Al-Zeidaneen, F. K.; Mbomekallé, I. M.; Oliveira, P. de; Anson, C. E.
2020. Molecules, 25 (18), Art. Nr.: 4229. doi:10.3390/molecules25184229 -
Efficient Blue Phosphorescence in Gold(I)‐Acetylide Functionalized Coinage Metal Bis(amidinate) Complexes
Feuerstein, T. J.; Seifert, T. P.; Jung, A. P.; Müller, R.; Lebedkin, S.; Kappes, M. M.; Roesky, P. W.
2020. Chemistry - a European journal, 26 (70), 16676–16682. doi:10.1002/chem.202002466 -
Photocycloreversions within single polymer chains
Liu, M.; Wenzel, W.; Frisch, H.
2020. Polymer chemistry, 11 (41), 6616–6623. doi:10.1039/d0py01062f -
Covalent cucurbit[7]uril-dye conjugates for sensing in aqueous saline media and biofluids
Hu, C.; Grimm, L.; Prabodh, A.; Baksi, A.; Siennicka, A.; Levkin, P. A.; Kappes, M. M.; Biedermann, F.
2020. Chemical science, 11 (41), 11142–11153. doi:10.1039/d0sc03079a -
Surface-controlled reversal of the selectivity of halogen bonds
Tschakert, J.; Zhong, Q.; Martin-Jimenez, D.; Carracedo-Cosme, J.; Romero-Muñiz, C.; Henkel, P.; Schlöder, T.; Ahles, S.; Mollenhauer, D.; Wegner, H. A.; Pou, P.; Pérez, R.; Schirmeisen, A.; Ebeling, D.
2020. Nature Communications, 11 (1), Art. Nr.: 5630. doi:10.1038/s41467-020-19379-4 -
Ab-initio simulation of doped injection layers
Symalla, F.; Fediai, A.; Armleder, J.; Kaiser, S.; Strunk, T.; Neumann, T.; Wenzel, W.
2020. Digest of technical papers, 51 (1), 630–633. doi:10.1002/sdtp.13946 -
Stereochemistry of coordination polyhedra vs. single ion magnetism in penta- and hexacoordinated Co(ii) complexes with tridentate rigid ligands
Brachňaková, B.; Matejová, S.; Moncol, J.; Herchel, R.; Pavlik, J.; Moreno-Pineda, E.; Ruben, M.; Šalitroš, I.
2020. Dalton transactions, 49 (4), 1249–1264. doi:10.1039/C9DT04592A -
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Inorganic Approach to Stabilizing Nanoscale Toroidicity in a Tetraicosanuclear Fe
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Exploring the Vibrational Side of Spin‐Phonon Coupling in Single‐Molecule Magnets via 161Dy Nuclear Resonance Vibrational Spectroscopy
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The first microsolvation step for furans: New experiments and benchmarking strategies
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E‐Selective Hydrothiolation of Terminal Arylallenes with Arylthiols Catalyzed by Ni (PMe₃)₄
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Breaking with Light: Stimuli-Responsive Mesoporous Organosilica Particles
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An Efficient Coupled-Perturbed Kohn–Sham Implementation of NMR Chemical Shift Computations with Local Hybrid Functionals and Gauge-Including Atomic Orbitals
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Stability of hexafluoroacetylacetone molecules on metallic and oxidized nickel surfaces in atomic-layer-etching processes
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Ultrafast Intersystem Crossing in Isolated Ag
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Multiscale Simulation of Photoluminescence Quenching in Phosphorescent OLED Materials
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A designed and potentially decadentate ligand for use in lanthanide(III) catalysed biomass transformations: targeting diastereoselective trans-4,5-diaminocyclopentenone derivatives
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Chirality Sensing of Terpenes, Steroids, Amino Acids, Peptides and Drugs with Acyclic Cucurbit[n]urils and Molecular Tweezers
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An overview of data‐driven HADDOCK strategies in CAPRI rounds 38-45
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Voltage Fluctuations in a System of Capacitively Coupled Superconducting Nanowires
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Biolasing from Individual Cells in a Low‐Q Resonator Enables Spectral Fingerprinting
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The effects of somatic mutations on EGFR interaction with anti-EGFR monoclonal antibodies: Implication for acquired resistance
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2020. Proteins, 88 (1), 3–14. doi:10.1002/prot.25762
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Production and Characterization of a New Variant of an Anti-Tnfα Antibody with Improved Affinity and Potency
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Zinc–dysprosium functionalized amyloid fibrils
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2019. Dalton transactions, 48 (41), 15371–15375. doi:10.1039/C9DT01134J -
Low‐Valent Group 14 NHC‐Stabilized Phosphinidenide ate Complexes and NHC‐Stabilized K/P‐Clusters
Balmer, M.; Weigend, F.; Hänisch, C. von
2019. Chemistry - a European journal, 25 (19), 4914–4919. doi:10.1002/chem.201900348 -
Not Non-Coordinating at All: Coordination Compounds of the Cyclodimethylsiloxanes D
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2019. Inorganic chemistry, 58 (22), 15417–15422. doi:10.1021/acs.inorgchem.9b02519 -
Structural Evolution of Palladium Clusters Pd55––Pd147–: Transition to the Bulk
Kohaut, S.; Rapps, T.; Fink, K.; Schooss, D.
2019. The journal of physical chemistry <Washington, DC> / A, 123 (51), 10940–10946. doi:10.1021/acs.jpca.9b09369 -
Screening the 4f-electron spin of TbPc₂ single-molecule magnets on metal substrates by ligand channeling
Barhoumi, R.; Amokrane, A.; Klyatskaya, S.; Boero, M.; Ruben, M.; Bucher, J.-P.
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Quantum Tunneling Mediated Interfacial Synthesis of a Benzofuran Derivative
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Spin-crossover in iron(II)-Schiff base complexes
Senthil Kumar, K.; Bayeh, Y.; Gebretsadik, T.; Elemo, F.; Gebrezgiabher, M.; Thomas, M.; Ruben, M.
2019. Dalton transactions, 48 (41), 15321–15337. doi:10.1039/C9DT02085C -
Syntheses, Crystal Structure, Electrocatalytic, and Magnetic Properties of the Monolanthanide-Containing Germanotungstates [Ln(H
Ibrahim, M.; Mbomekallé, I. M.; De Oliveira, P.; Baksi, A.; Carter, A. B.; Peng, Y.; Bergfeldt, T.; Malik, S.; Anson, C. E.
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A highly stable, Au/Ru heterobimetallic photoredox catalyst with a [2.2]paracyclophane backbone
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2019. Dalton transactions, 48 (48), 17704–17708. doi:10.1039/c9dt04366g -
Binding affinities of cucurbit[n]urils with cations
Zhang, S.; Grimm, L.; Miskolczy, Z.; Biczók, L.; Biedermann, F.; Nau, W. M.
2019. Chemical communications, 55 (94), 14131–14134. doi:10.1039/c9cc07687e -
Nanogymnastics: Visualization of intercluster reactions by high-resolution trapped ion mobility mass spectrometry
Baksi, A.; Schneider, E. K.; Weis, P.; Krishnadas, K. R.; Ghosh, D.; Hahn, H.; Pradeep, T.; Kappes, M. M.
2019. The journal of physical chemistry <Washington, DC> / C, 123, 28477–28485. doi:10.1021/acs.jpcc.9b08686 -
Influence of ligand substitution on magnetic hyperfine interaction in Dy
Scherthan, L.; Ruppert, T.; Peng, Y.; Baniodeh, A.; Auerbach, H.; Hochdörffer, T.; Wolny, J. A.; Bi, W.; Zhao, J.; Hu, M. Y.; Toellner, T. S.; Alp, E. E.; Brown, D. E.; Anson, C. E.; Powell, A. K.; Schünemann, V.
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A Chiral Macrocyclic Oligothiophene with Broken Conjugation – Rapid Racemization through Internal Rotation
Weiland, K. J.; Münch, N.; Gschwind, W.; Häussinger, D.; Mayor, M.
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Adsorption Structure of Mono- and Diradicals on a Cu(111) Surface: Chemoselective Dehalogenation of 4-Bromo-3″-iodo-p-terphenyl
Ebeling, D.; Zhong, Q.; Schlöder, T.; Tschakert, J.; Henkel, P.; Ahles, S.; Chi, L.; Mollenhauer, D.; Wegner, H. A.; Schirmeisen, A.
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Aqueous Assembly of Zwitterionic Daisy Chains
Aeschi, Y.; Drayss-Orth, S.; Valášek, M.; Häussinger, D.; Mayor, M.
2019. Chemistry - a European journal, 25 (1), 285–295. doi:10.1002/chem.201803944 -
Synthesis and Catalytic Activity of Iron Hydride Ligated with Bidentate N-Heterocyclic Silylenes for Hydroboration of Carbonyl Compounds
Qi, X.; Zheng, T.; Zhou, J.; Dong, Y.; Zuo, X.; Li, X.; Sun, H.; Fuhr, O.; Fenske, D.
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Low-Valent Group 14 Phosphinidenide Complexes [({SIDipp}P)2M] Exhibit P–M pπ–pπ Interaction (M=Ge, Sn, Pb)
Balmer, M.; Franzke, Y. J.; Weigend, F.; Hänisch, C.
2019. Chemistry - a European journal, 26 (1), 192–197. doi:10.1002/chem.201905061 -
Synthesis, Characterization, and Biological Properties of Steroidal Ruthenium(II) and Iridium(III) Complexes Based on the Androst-16-en-3-ol Framework
Koch, V.; Meschkov, A.; Feuerstein, W.; Pfeifer, J.; Fuhr, O.; Nieger, M.; Schepers, U.; Bräse, S.
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Twists to the Spin Structure of the Ln 9 -diabolo Motif Exemplified in Two {Zn 2 Ln 2 }[Ln 9 ]{Zn 2 } Coordination Clusters
Griffiths, K.; Kühne, I. A.; Tizzard, G. J.; Coles, S. J.; Kostakis, G. E.; Powell, A. K.
2019. Inorganic chemistry, 58 (4), 2483–2490. doi:10.1021/acs.inorgchem.8b03048 -
Transition-Metal-Induced Rearrangement of [(PhSn)
Dornsiepen, E.; Weigend, F.; Dehnen, S.
2019. Chemistry - a European journal, 25 (10), 2486–2490. doi:10.1002/chem.201806407 -
Bunching and Immobilization of Ionic Liquids in Nanoporous Metal–Organic Framework
Kanj, A. B.; Verma, R.; Liu, M.; Helfferich, J.; Wenzel, W.; Heinke, L.
2019. Nano letters, 19 (3), 2114–2120. doi:10.1021/acs.nanolett.8b04694 -
Tuning the Metal/Chalcogen Composition in Copper(I)–Chalcogenide Clusters with Cyclic (Alkyl)(amino)carbene Ligands
Polgar, A. M.; Zhang, A.; Mack, F.; Weigend, F.; Lebedkin, S.; Stillman, M. J.; Corrigan, J. F.
2019. Inorganic chemistry, 58 (5), 3338–3348. doi:10.1021/acs.inorgchem.8b03399 -
Electrochemical Multiplexing: Control over Surface Functionalization by Combining a Redox-Sensitive Alkyne Protection Group with “Click”-Chemistry
Hellstern, M.; Gantenbein, M.; Le Pleux, L.; Puebla-Hellmann, G.; Lörtscher, E.; Mayor, M.
2019. Advanced materials interfaces, 6 (5), Art. Nr.: 1801917. doi:10.1002/admi.201801917 -
Probabilistic mapping of single molecule junction configurations as a tool to achieve the desired geometry of asymmetric tripodal molecules
Kolivoška, V.; Šebera, J.; Sebechlebská, T.; Lindner, M.; Gasior, J.; Mészáros, G.; Mayor, M.; Valášek, M.; Hromadová, M.
2019. Chemical communications, 55 (23), 3351–3354. doi:10.1039/c8cc09681c -
2-(3-Cyanopropyldimethylsilyl)ethyl as a Polar Sulfur Protecting Group
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2019. Synthesis, 51 (22), 4153–4164. doi:10.1055/s-0039-1690184 -
Preparation of Unsymmetrical Disulfides from Thioacetates and Thiosulfonates
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2019. European journal of organic chemistry, 2019 (41), 6956–6960. doi:10.1002/ejoc.201901283 -
Mono- And Dinuclear Coinage Metal Complexes Supported by an Imino-Pyridine-NHC Ligand: Structural and Photophysical Studies
Simler, T.; Möbius, K.; Müller, K.; Feuerstein, T. J.; Gamer, M. T.; Lebedkin, S.; Kappes, M. M.; Roesky, P. W.
2019. Organometallics, 38 (19), 3649–3661. doi:10.1021/acs.organomet.9b00449 -
Exchange Interactions in Heteronuclear Clusters Containing Dysprosium Ions: EPR Spectroscopy Possibility
Galeev, R. T.; Mingalieva, L. V.; Sukhanov, A. A.; Voronkova, V. K.; Peng, Y.; Powell, A. K.
2019. Applied magnetic resonance, 50 (12), 1429–1441. doi:10.1007/s00723-019-01160-6 -
Light-Switchable One-Dimensional Photonic Crystals Based on MOFs with Photomodulatable Refractive Index
Zhang, Z.; Müller, K.; Heidrich, S.; Koenig, M.; Hashem, T.; Schlöder, T.; Bléger, D.; Wenzel, W.; Heinke, L.
2019. The journal of physical chemistry letters, 10 (21), 6626–6633. doi:10.1021/acs.jpclett.9b02614 -
Neutralization of insulin by photocleavage under high vacuum
Schätti, J.; Kriegleder, M.; Debiossac, M.; Kerschbaum, M.; Geyer, P.; Mayor, M.; Arndt, M.; Köhler, V.
2019. Chemical communications, 55 (83), 12507–12510. doi:10.1039/c9cc05712a -
Design of Nanocomposite Injectable Hydrogels for Minimally Invasive Surgery
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2019. Accounts of chemical research, 52 (8), 2101–2112. doi:10.1021/acs.accounts.9b00114 -
Concentration dependent energy levels shifts in donor-acceptor mixtures due to intermolecular electrostatic interaction
Bag, S.; Friederich, P.; Kondov, I.; Wenzel, W.
2019. Scientific reports, 9 (1), Art. Nr.: 12424. doi:10.1038/s41598-019-48877-9 -
Polyoxometalate-based high-spin cluster systems: a NMR relaxivity study up to 1.4 GHz/33 T
Ibrahim, M.; Krämer, S.; Schork, N.; Guthausen, G.
2019. Dalton transactions, 48 (41), 15597–15604. doi:10.1039/c9dt02052g -
Synthesis, structure and electrochemical characterization of an isopolytungstate (W4O16) held by MnII anchors within a superlacunary crown heteropolyanion {P8W48}
Ibrahim, M.; Mbomekallé, I. M.; Oliveira, P. de; Kostakis, G. E.; Anson, C. E.
2019. Dalton transactions, 48 (41), 15545–15552. doi:10.1039/c9dt02478f -
Understanding the Superior Stability of Single‐Molecule Magnets on an Oxide Film
Studniarek, M.; Wäckerlin, C.; Singha, A.; Baltic, R.; Diller, K.; Donati, F.; Rusponi, S.; Brune, H.; Lan, Y.; Klyatskaya, S.; Ruben, M.; Seitsonen, A. P.; Dreiser, J.
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Disorder compensation controls doping efficiency in organic semiconductors
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2019. Nature Communications, 10 (1), Article: 4547. doi:10.1038/s41467-019-12526-6 -
9-Cobalt(II)-Containing 27-Tungsto-3-germanate(IV): Synthesis, Structure, Computational Modeling, and Heterogeneous Water Oxidation Catalysis
Haider, A.; Bassil, B. S.; Soriano-López, J.; Qasim, H. M.; Sáenz de Pipaón, C.; Ibrahim, M.; Dutta, D.; Koo, Y.-S.; Carbó, J. J.; Poblet, J. M.; Galán-Mascarós, J. R.; Kortz, U.
2019. Inorganic chemistry, 58 (17), 11308–11316. doi:10.1021/acs.inorgchem.9b01495 -
Metal–Ligand Interface in the Chemical Reactions of Ligand-Protected Noble Metal Clusters
Krishnadas, K. R.; Natarajan, G.; Baksi, A.; Ghosh, A.; Khatun, E.; Pradeep, T.
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Low-valent homobimetallic Rh complexes: influence of ligands on the structure and the intramolecular reactivity of Rh–H intermediates
Jurt, P.; Salnikov, O. G.; Gianetti, T. L.; Chukanov, N. V.; Baker, M. G.; Le Corre, G.; Borger, J. E.; Verel, R.; Gauthier, S.; Fuhr, O.; Kovtunov, K. V.; Fedorov, A.; Fenske, D.; Koptyug, I. V.; Grützmacher, H.
2019. Chemical science, 10 (34), 7937–7945. doi:10.1039/c9sc02683e -
A family of planar hexanuclear CoIII4LnIII2 clusters with lucanidae-like arrangement and single-molecule magnet behavior
Li, Q.; Peng, Y.; Qian, J.; Yan, T.; Du, L.; Zhao, Q.
2019. Dalton transactions, 48 (34), 12880–12887. doi:10.1039/c9dt02103e -
On the macrocyclization selectivity of meta-substituted diamines and dialdehydes: towards macrocycles with tunable functional peripheries
Klein, G.; Llevot, A.; Löser, P.; Bitterer, B.; Helfferich, J.; Wenzel, W.; Barner-Kowollik, C.; Meier, M. A. R.
2019. Journal of inclusion phenomena and macrocyclic chemistry, 95 (1-2), 119–134. doi:10.1007/s10847-019-00931-9 -
Magnetic anisotropy in trigonal planar Fe(ii) bis(trimethylsilyl)amido complexes of the type [Fe{N(SiMe₃)₂}₂L]—experiment and theory
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2019. Dalton transactions, 48, 15699–15712. doi:10.1039/c9dt01702j -
Synthesis and characterization of rigid [2.2]paracyclophane–porphyrin conjugates as scaffolds for fixed-distance bimetallic complexes
Knoll, D. M.; Wiesner, T. B.; Marschner, S. M.; Hassan, Z.; Weis, P.; Kappes, M.; Nieger, M.; Bräse, S.
2019. RSC Advances, 9 (52), 30541–30544. doi:10.1039/c9ra07055a -
Boosting OLED Performance with Ab-initio Modeling of Roll-off and Quenching Processes
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2019. Digest of technical papers, 50 (1), 259–262. doi:10.1002/sdtp.12905 -
Unravelling the conductance path through single-porphyrin junctions
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Quantum superposition of molecules beyond 25 kDa
Fein, Y. Y.; Geyer, P.; Zwick, P.; Kiałka, F.; Pedalino, S.; Mayor, M.; Gerlich, S.; Arndt, M.
2019. Nature physics, 15 (12), 1242–1245. doi:10.1038/s41567-019-0663-9 -
Calculation of vibrationally resolved absorption spectra of acenes and pyrene
Benkyi, I.; Tapavicza, E.; Fliegl, H.; Sundholm, D.
2019. Physical chemistry, chemical physics, 21 (37), 21094–21103. doi:10.1039/c9cp04178h -
Multimodeling Approach to Ferromagnetic Spin-Wave Excitations in the High-Spin Cluster Mn
Nekuruh, S.; Nehrkorn, J.; Prsa, K.; Dreiser, J.; Ako, A. M.; Anson, C. E.; Unruh, T.; Powell, A. K.; Waldmann, O.
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From the loom to the laboratory: Molecular textiles
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Tetranuclear Cu(II)-chiral complexes: synthesis, characterization and biological activity
Peewasan, K.; Merkel, M. P.; Zarschler, K.; Stephan, H.; Anson, C. E.; Powell, A. K.
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Three-dimensional aromaticity in an antiaromatic cyclophane
Nozawa, R.; Kim, J.; Oh, J.; Lamping, A.; Wang, Y.; Shimizu, S.; Hisaki, I.; Kowalczyk, T.; Fliegl, H.; Kim, D.; Shinokubo, H.
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Error-consistent segmented contracted all-electron relativistic basis sets of double- and triple-zeta quality for NMR shielding constants
Franzke, Y. J.; Treß, R.; Pazdera, T. M.; Weigend, F.
2019. Physical chemistry, chemical physics, 21 (30), 16658–16664. doi:10.1039/c9cp02382h -
Tuning the contact conductance of anchoring groups in single molecule junctions by molecular design
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A Lithium‐Free Energy‐Storage Device Based on an Alkyne‐Substituted‐Porphyrin Complex
Chen, Z.; Gao, P.; Wang, W.; Klyatskaya, S.; Zhao-Karger, Z.; Wang, D.; Kübel, C.; Fuhr, O.; Fichtner, M.; Ruben, M.
2019. ChemSusChem, 12 (16), 3737–3741. doi:10.1002/CSSC.201901541 -
On‐Surface Activation of Trimethylsilyl‐Terminated Alkynes on Coinage Metal Surfaces
Zhang, L.; Zhang, Y.-Q.; Chen, Z.; Lin, T.; Paszkiewicz, M.; Hellwig, R.; Huang, T.; Ruben, M.; Barth, J. V.; Klappenberger, F.
2019. ChemPhysChem, 20 (18), 2382–2393. doi:10.1002/cphc.201900249 -
Surface‐Dependent Chemoselectivity in C−C Coupling Reactions
Chen, Z.; Lin, T.; Zhang, L.; Zhang, L.; Xiang, B.; Xu, H.; Klappenberger, F.; Barth, J. V.; Klyatskaya, S.; Ruben, M.
2019. Angewandte Chemie, 131 (25), 8444–8449. doi:10.1002/ange.201900636 -
Synthesis, structures and magnetic properties of [(η9-C9H9)Ln(η8-C8H8)] super sandwich complexes
Münzfeld, L.; Schoo, C.; Bestgen, S.; Moreno-Pineda, E.; Köppe, R.; Ruben, M.; Roesky, P. W.
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Materials Research in the Information Age
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Effects of the Molecular Design on the Supramolecular Organization of Luminescent Pt(II) Complexes
Aliprandi, A.; Capaldo, L.; Bobica, C.; Silvestrini, S.; De Cola, L.
2019. Israel journal of chemistry, 59 (10), 892–897. doi:10.1002/ijch.201900047 -
Turn on of sky-blue thermally activated delayed fluorescence and circularly polarized luminescence (CPL): Via increased torsion by a bulky carbazolophane donor
Sharma, N.; Spuling, E.; Mattern, C. M.; Li, W.; Fuhr, O.; Tsuchiya, Y.; Adachi, C.; Bräse, S.; Samuel, I. D. W.; Zysman-Colman, E.
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Rational design and implementation of a cucurbit[8]uril-based indicator-displacement assay for application in blood serum
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2019. Chemical science, 10 (27), 6584–6593. doi:10.1039/c9sc00705a -
Stabilization of Pancake Bonding in (TCNQ)₂.⁻ Dimers in the Radical‐Anionic Salt (N−CH₃−2‐NH₂−5Cl−Py)(TCNQ)(CH₃CN) Solvate and Antiferromagnetism Induction
Starodub, T. N.; Čižmár, E.; Kliuikov, A.; Starodub, V. A.; Feher, A.; Kozlowska, M.
2019. ChemistryOpen, 8 (7), 984–988. doi:10.1002/open.201900179 -
Photomodulation of Two-Dimensional Self-Assembly of Azobenzene-Hexa- peri-hexabenzocoronene-Azobenzene Triads
Hou, I. C.-Y.; Diez-Cabanes, V.; Galanti, A.; Valášek, M.; Mayor, M.; Cornil, J.; Narita, A.; Samorì, P.; Müllen, K.
2019. Chemistry of materials, 31 (17), 6979–6985. doi:10.1021/acs.chemmater.9b01535 -
Quantum Tunneling Mediated Interfacial Synthesis of a Benzofuran Derivative
Paintner, T.; Björk, J.; Du, P.; Klyatskaya, S.; Paszkiewicz, M.; Hellwig, R.; Uphoff, M.; Öner, M. A.; Cuniberto, E.; Deimel, P. S.; Zhang, Y.-Q.; Palma, C.-A.; Allegretti, F.; Ruben, M.; Barth, J. V.; Klappenberger, F.
2019. Angewandte Chemie / International edition, 58 (33), 11285–11290. doi:10.1002/anie.201904030 -
Rational design of iron oxide binding peptide tags
Schwaminger, S. P.; Anand, P.; Borkowska-Panek, M.; Blank-Shim, S. A.; Fraga-García, P.; Fink, K.; Berensmeier, S.; Wenzel, W.
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Trends in therapeutic antibody affinity maturation: From in-vitro towards next-generation sequencing approaches
Tabasinezhad, M.; Talebkhan, Y.; Wenzel, W.; Rahimi, H.; Omidinia, E.; Mahboudi, F.
2019. Immunology letters, 212, 106–113. doi:10.1016/j.imlet.2019.06.009 -
Triplet exciton diffusion in metalorganic phosphorescent host-guest systems from first principles
Vries, X. de; Friederich, P.; Wenzel, W.; Coehoorn, R.; Bobbert, P. A.
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New olefin metathesis catalyst bearing N-mesitylimidazole and nitrate ligands – Synthesis, activity, and performance in aqueous media
Malinowska, M.; Kozlowska, M.; Hryniewicka, A.; Morzycki, J. W.
2019. Journal of organometallic chemistry, 896, 154–161. doi:10.1016/j.jorganchem.2019.06.018 -
The coordination behavior of 2,3-bis(diphenylphosphino)maleic-phenylimide towards copper, silver, gold and palladium
Wang, Y.; Eichhöfer, A.; Weigend, F.; Fenske, D.; Fuhr, O.
2019. Dalton transactions, 48 (20), 6863–6871. doi:10.1039/c8dt05003a -
Enhanced Separation Concept (ESC): Removing the Functional Subunit from the Electrode by Molecular Design
Brandl, T.; El Abbassi, M.; Stefani, D.; Frisenda, R.; Harzmann, G. D.; Van der Zant, H. S. J.; Mayor, M.
2019. European journal of organic chemistry, (31/32), SI. doi:10.1002/ejoc.201900432 -
Effect of Geometrical Structure, Drying, and Synthetic Method on Aminated Chitosan-Coated Magnetic Nanoparticles Utility for HSA Effective Immobilization
Ziegler-Borowska, M.; Mylkie, K.; Kozlowska, M.; Nowak, P.; Chelminiak-Dudkiewicz, D.; Kozakiewicz, A.; Ilnicka, A.; Kaczmarek-Kedziera, A.
2019. Molecules, 24 (10), Art.Nr. 1925. doi:10.3390/molecules24101925 -
A New Class of Rigid Multi(azobenzene) Switches Featuring Electronic Decoupling: Unravelling the Isomerization in Individual Photochromes
Galanti, A.; Santoro, J.; Mannancherry, R.; Duez, Q.; Diez-Cabanes, V.; Valášek, M.; De Winter, J.; Cornil, J.; Gerbaux, P.; Mayor, M.; Samorì, P.
2019. Journal of the American Chemical Society, 141 (23), 9273–9283. doi:10.1021/jacs.9b02544 -
Photoconductivity in Metal–Organic Framework (MOF) Thin Films
Liu, X.; Kozlowska, M.; Okkali, T.; Wagner, D.; Higashino, T.; Brenner-Weiß, G.; Marschner, S. M.; Fu, Z.; Zhang, Q.; Imahori, H.; Bräse, S.; Wenzel, W.; Wöll, C.; Heinke, L.
2019. Angewandte Chemie / International edition, 58 (28), 9590–9595. doi:10.1002/anie.201904475 -
Mechanism of magnetisation relaxation in M III 2 Dy III 2 (M = Cr, Mn, Fe, Al) “butterfly” complexes: How important are the transition metal ions here?
Peng, Y.; Singh, M. K.; Mereacre, V.; Anson, C. E.; Rajaraman, G.; Powell, A. K.
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Surface-Dependent Chemoselectivity in C−C Coupling Reactions
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Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence
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Six state molecular revolver mounted on a rigid platform
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Identification of the A293 (AVE1231) Binding Site in the Cardiac Two-Pore-Domain Potassium Channel TASK-1: a Common Low Affinity Antiarrhythmic Drug Binding Site
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Toward Design of Novel Materials for Organic Electronics
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High-Quality Data of Protein/Peptide Interaction by Isothermal Titration Calorimetry
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Polynuclear Iron(II) Complexes with 2,6-Bis(pyrazol-1-yl)pyridine-anthracene Ligands Exhibiting Highly Distorted High-Spin Centers
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Bi-stable spin-crossover characteristics of a highly distorted [Fe(1-BPP-COOC
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Synthesizing Highly Regular Single-Layer Alkynyl-Silver Networks at the Micrometer Scale via Gas-Mediated Surface Reaction
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Trinuclear and Hexanuclear Lanthanide(III) Complexes of the Chiral 3+3 Macrocycle: X-ray Crystal Structures and Magnetic Properties
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Beyond Simple Substitution Patterns – Symmetrically Tetrasubstituted [2.2]Paracyclophanes as 3D Functional Materials
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Semiconductor Nanocrystal Engineering by Applying Thiol- and Solvent-Coordinated Cation Exchange Kinetics
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Chasing BODIPY: Enhancement of Luminescence in Homoleptic Bis(dipyrrinato) Zn II Complexes Utilizing Symmetric and Unsymmetrical Dipyrrins
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Synthetic Hilbert Space Engineering of Molecular Qudits: Isotopologue Chemistry
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Ni(II) 10-Phosphacorrole: A Porphyrin Analogue Containing Phosphorus at the Meso Position
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Fragmentation and Distortion of Terpyridine-Based Spin-Crossover Complexes on Au(111)
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Size Matters: From Two-Dimensional Au
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Layered Ln(III) Complexes from a Sulfonate-Based 1,8-Naphthalimide: Structures, Magnetism and Photophysics
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Slow Formation of Pseudorotaxanes in Water
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Mechanical Stabilization of Helical Chirality in a Macrocyclic Oligothiophene
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NMR Shielding Tensors and Chemical Shifts in Scalar-Relativistic Local Exact Two-Component Theory
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1‐D Polymeric Iron(II) Thiolato Complexes: Synthesis, Structure, and Properties of
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Tuning and controlling the shape of mesoporous silica particles with CTAB/sodium deoxycholate catanionic mixtures
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Anion influence on spin state in two novel Fe(III) compounds: [Fe(5F-sal2333)]X
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Improvement of electrochemical properties of P2-type Na2/3Mn2/3Ni1/3O2 sodium ion battery cathode material by water-soluble binders
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Single Crystal Investigations Unravel the Magnetic Anisotropy of the “Square-In Square” Cr₄Dy₄ SMM Coordination Cluster
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In-situ formation of one-dimensional coordination polymers in molecular junctions
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Host dependence of the electron affinity of molecular dopants
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¹⁶¹Dy Time-Domain Synchrotron Mössbauer Spectroscopy for Investigating Single-Molecule Magnets Incorporating Dy Ions
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Synthesis of five isostructural tetranuclear Fe₂Ln₂ (Ln = Gd, Tb, Dy, Ho, Er) complexes with an “inverse butterfly” core
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The transient production of anti-TNF-α antibody Adalimumab and a comparison of its characterization to the biosimilar Cinorra
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Scale-Bridging Models for Organic Semiconductors
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Transition metal complexes in ECL: Diagnostics and biosensing
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Pushing the mass limit for intact launch and photoionization of large neutral biopolymers
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Selective detection of α4β1 integrin (VLA-4)-expressing cells using peptide-functionalized nanostructured materials mimicking endothelial surfaces adjacent to inflammatory sites
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Reshaping silica particles: Mesoporous nanodiscs for bimodal delivery and improved cellular uptake
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Morphology Control of Mesoporous Silica Particles Using Bile Acids as Cosurfactants
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Cavitation energies can outperform dispersion interactions
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Anomalous diffusion of water molecules at grain boundaries in ice I
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A W-Shaped Ga-Dy-Dy-Dy-Ga Cluster: Synthesis, Characterization, and Magnetic Properties
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Gas-Phase Photoluminescence and Photodissociation of Silver-Capped Hexagold Clusters
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Synthesis and catalytic activity of N-heterocyclic silylene (NHSi) cobalt hydride for Kumada coupling reactions
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Synthesis of NHC Pincer Hydrido Nickel Complexes and Their Catalytic Applications in Hydrodehalogenation
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Synthesis of silyl iron hydride via Si–H activation and its dual catalytic application in the hydrosilylation of carbonyl compounds and dehydration of benzamides
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Synthesis and reactivity of silyl cobalt complexes bearing a tetradentate phosphino silyl ligand via Si–H bond activation
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Transfer hydrogenation of aldehydes catalyzed by silyl hydrido iron complexes bearing a [PSiP] pincer ligand
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Syntheses and properties of 2-azaallyl Iron(I) complexes via Csp³-H bond activation
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Sonogashira reactions of alkyl halides catalyzed by NHC [CNN] pincer nickel(II) complexes
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Synthesis and characterization of bissilyl cobalt and iron hydrides bearing disilazane ligands via Si-H bond activation
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Preparation of hydrido [CNC]-pincer cobalt complexes via selective C–H/C–F bond activation and their catalytic performances
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Synthesis and catalytic application of [PPP]-pincer iron, nickel and cobalt complexes for the hydrosilylation of aldehydes and ketones
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Syntheses of hydrido selenophenolato iron(II) complexes and their catalytic application in hydrosilylation of aldehydes and ketones
Wang, Y.; Ren, S.; Zhang, W.; Xue, B.; Qi, X.; Sun, H.; Li, X.; Fuhr, O.; Fenske, D.
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A Recoverable Complex with Nitrogen-Rich Double Rings for Hg(II) Sorption
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An octahedral tetrachlorido Fe(II) complex with aminopyrazinium ligands from a serendipitous redox synthesis exhibiting magnetic exchange through non-covalent 3-D architectures
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Cover Feature: A W-Shaped Ga-Dy-Dy-Dy-Ga Cluster: Synthesis, Characterization, and Magnetic Properties (ChemPlusChem 7/2018)
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High spin cycles: topping the spin record for a single molecule verging on quantum criticality
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Ion Mobility Measurements of Multianionic Metalloporphyrin Dimers: Structural Changes Induced by Countercation Exchange
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2018. Journal of the American Society for Mass Spectrometry, 29 (7), 1431–1441. doi:10.1007/s13361-018-1941-y -
Detection of Intermediates in Dual Gold Catalysis Using High-Resolution Ion Mobility Mass Spectrometry
Greisch, J.-F.; Weis, P.; Brendle, K.; Kappes, M. M.; Haler, J. R. N.; Far, J.; De Pauw, E.; Albers, C.; Bay, S.; Wurm, T.; Rudolph, M.; Schulmeister, J.; Hashmi, A. S. K.
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Luminescence of Amphiphilic PtII Complexes Controlled by Confinement
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2018. Chemistry - a European journal, 24 (46), 12054–12060. doi:10.1002/chem.201802743 -
Programmable and Sequence-Selective Supramolecular Assembly of Two Different Chromophores along DNA Templates
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2018. Chemistry - a European journal, 24 (61), 16257–16261. doi:10.1002/chem.201804314 -
Meltdown! Local Heating by Decaying Excited Host Positive Polarons Triggers Aggregation Quenching in Blue PhOLEDs
Setzer, T.; Friederich, P.; Meded, V.; Wenzel, W.; Lennartz, C.; Dreuw, A.
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Magnetization Blocking in Fe
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2018. Chemistry - a European journal, 24 (62), 16652–16661. doi:10.1002/chem.201803821 -
Photodynamics and Luminescence of Mono- and Tri-Nuclear Lanthanide Complexes in the Gas Phase and in Solution
Liedy, F.; Bäppler, F.; Waldt, E.; Nosenko, Y.; Imanbaew, D.; Bhunia, A.; Yadav, M.; Diller, R.; Kappes, M. M.; Roesky, P. W.; Schooss, D.; Riehn, C.
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Electronic Decoupling in C
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Kinetic Study of Ligand Binding and Conformational Changes in Inducible Nitric Oxide Synthase
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2018. The journal of physical chemistry <Washington, DC> / B, 122 (49), 11048–11057. doi:10.1021/acs.jpcb.8b05137 -
A tetranuclear Cu
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2018. Dalton transactions, 47 (48), 17202–17205. doi:10.1039/c8dt04371j -
Supramolecular Interaction Tuning of Spin‐Crossover in Pyrene/Fullerene (C
Kumar, K. S.; Šalitroš, I.; Suryadevara, N.; Moreno-Pineda, E.; Ruben, M.
2018. European journal of inorganic chemistry, 2018 (47), 5091–5097. doi:10.1002/ejic.201801109 -
Novel N-phosphorylated iminophosphoranes based on 9,10-dihydro-9-oxa-10- phosphaphenanthrene-10-oxide
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Enantiopure Benzamidinate/Cyclooctatetraene Complexes of the Rare-Earth Elements: Synthesis, Structure, and Magnetism
He, M.; Chen, X.; Bodenstein, T.; Nyvang, A.; Schmidt, S. F. M.; Peng, Y.; Moreno-Pineda, E.; Ruben, M.; Fink, K.; Gamer, M. T.; Powell, A. K.; Roesky, P. W.
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[Co@Sn
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2018. Angewandte Chemie, 130 (47), 15585–15589. doi:10.1002/ange.201807180 -
The Identity of “Ternary” A/Tl/Pb or K/Tl/Bi Solid Mixtures and Binary Zintl Anions Isolated From Their Solutions
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2018. Chemistry - a European journal, 24 (46), 12022–12030. doi:10.1002/chem.201802382 -
The self-assembly and metal adatom coordination of a linear bis-tetrazole ligand on Ag(111)
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2018. Chemical communications, 54 (72), 10072–10075. doi:10.1039/C8CC04323J -
Large Conductance Variations in a Mechanosensitive Single-Molecule Junction
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2018. Nano letters, 18 (9), 5981–5988. doi:10.1021/acs.nanolett.8b02810 -
15-Copper(ii)-containing 36-tungsto-4-silicates(iv) [Cu₁₅O₂(OH)₁₀X(A-α-SiW₉O₃₄)₄]²⁵⁻ (X = Cl, Br): synthesis, structure, magnetic properties, and electrocatalytic CO₂ reduction
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2018. Dalton transactions, 47 (35), 12439–12448. doi:10.1039/c8dt01896k -
Bethe–Salpeter correlation energies of atoms and molecules
Holzer, C.; Gui, X.; Harding, M. E.; Kresse, G.; Helgaker, T.; Klopper, W.
2018. The journal of chemical physics, 149 (14), Art. Nr.: 144106. doi:10.1063/1.5047030 -
Element specific determination of the magnetic properties of two macrocyclic tetranuclear 3d-4f complexes with a Cu3Tb core by means of X-ray magnetic circular dichroism (XMCD)
Balinski, K.; Schneider, L.; Wöllermann, J.; Buling, A.; Joly, L.; Piamonteze, C.; Feltham, H. L. C.; Brooker, S. A.; Powell, A. K.; Delley, B. T.; Kuepper, K.
2018. Physical chemistry, chemical physics, 20 (33), 21286–21293. doi:10.1039/c7cp08689j -
Observation of Cooperative Electronic Quantum Tunneling: Increasing Accessible Nuclear States in a Molecular Qudit
Moreno-Pineda, E.; Klyatskaya, S.; Du, P.; Damjanovic, M.; Taran, G.; Wernsdorfer, W.; Ruben, M.
2018. Inorganic chemistry, 57 (16), 9873–9879. doi:10.1021/acs.inorgchem.8b00823 -
Magnetic properties of transition metal dimers probed by inelastic neutron scattering
Ansbro, S.; Moreno-Pineda, E.; Yu, W.; Ollivier, J.; Mutka, H.; Ruben, M.; Chiesa, A.
2018. Dalton transactions, 47 (34), 11953–11959. doi:10.1039/c8dt02570c -
On-surface structural and electronic properties of spontaneously formed Tb2Pc3 single molecule magnets
Hellerstedt, J.; Cahlík, A.; Švec, M.; De La Torre, B.; Moro-Lagares, M.; Chutora, T.; Papoušková, B.; Zoppellaro, G.; Mutombo, P.; Ruben, M.; Zbořil, R.; Jelinek, P.
2018. Nanoscale, 10 (33), 15553–15563. doi:10.1039/c8nr04215b -
Series of Photoswitchable Azobenzene-Containing Metal–Organic Frameworks with Variable Adsorption Switching Effect
Wang, Z.; Müller, K.; Valášek, M.; Grosjean, S.; Bräse, S.; Wöll, C.; Mayor, M.; Heinke, L.
2018. The journal of physical chemistry <Washington, DC> / C, 122 (33), 19044–19050. doi:10.1021/acs.jpcc.8b05843 -
A highly flexible molecule: The peculiar case of ethynyl isothiocyanate HCCNCS
Sun, W.; Davis, R. L.; Thorwirth, S.; Harding, M. E.; Wijngaarden, J. van
2018. The journal of chemical physics, 149 (10), Article: 104304. doi:10.1063/1.5048411 -
Metallic nanoparticle contacts for high-yield, ambient-stable molecular-monolayer devices
Puebla-Hellmann, G.; Venkatesan, K.; Mayor, M.; Lörtscher, E.
2018. Nature <London>, 559 (7713), 232–235. doi:10.1038/s41586-018-0275-z -
A Phenyl-Ethynyl-Macrocycle: A Model Compound for “Geländer” Oligomers Comprising Reactive Conjugated Banisters
Bannwart, L. M.; Jundt, L.; Müntener, T.; Neuburger, M.; Häussinger, D.; Mayor, M.
2018. European journal of organic chemistry, 2018 (26), 3391–3402. doi:10.1002/ejoc.201800586 -
Mononuclear and dinuclear heteroleptic Cu(I) complexes based on pyridyl-triazole and DPEPhos with long-lived excited-state lifetimes
Bizzarri, C.; Arndt, A. P.; Kohaut, S.; Fink, K.; Nieger, M.
2018. Journal of organometallic chemistry, 871, 140–149. doi:10.1016/j.jorganchem.2018.07.013 -
The Effect of Modifying the Macrocyclic Ring Size on Zn3Ln (Ln = Dy, Er, and Yb) Single-Molecule Magnet Behavior
Feltham, H. L. C.; Clérac, R.; Peng, Y.; Moreno-Pineda, E.; Powell, A. K.; Brooker, S.
2018. Zeitschrift für anorganische und allgemeine Chemie, 644 (14), 775–779. doi:10.1002/zaac.201800155 -
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Donsbach, C.; Reiter, K.; Sundholm, D.; Weigend, F.; Dehnen, S.
2018. Angewandte Chemie / International edition, 57 (28), 8770–8774. doi:10.1002/anie.201803233 -
Polymorphism and metal-induced structural transformation in 5,5′-bis(4-pyridyl)(2,2′-bispyrimidine) adlayers on Au(111)
Hötger, D.; Carro, P.; Gutzler, R.; Wurster, B.; Chandrasekar, R.; Klyatskaya, S. V.; Ruben, M.; Salvarezza, R. C.; Kern, K.; Grumelli, D.
2018. Physical chemistry, chemical physics, 20 (23), 15960–15969. doi:10.1039/c7cp07746g -
Butterfly M2 IIIEr2 (MIII = Fe and Al) SMMs: Synthesis, Characterization, and Magnetic Properties
Peng, Y.; Mereacre, V.; Anson, C. E.; Powell, A. K.
2018. ACS omega, 3 (6), 6360–6368. doi:10.1021/acsomega.8b00550 -
Calculation of Magnetic Shielding Constants with meta-GGA Functionals Employing the Multipole-Accelerated Resolution of the Identity: Implementation and Assessment of Accuracy and Efficiency
Reiter, K.; Mack, F.; Weigend, F.
2018. Journal of chemical theory and computation, 14 (1), 191–197. doi:10.1021/acs.jctc.7b01115 -
Porous supramolecular materials: the importance of emptiness
Biedermann, F.; De Cola, L.
2018. Supramolecular chemistry, 30 (3), 166–168. doi:10.1080/10610278.2017.1412015 -
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Yu, W.; Wang, Y.; Fuhr, O.; Fenske, D.; Dehnen, S.
2018. Dalton transactions, 47 (4), 1032–1035. doi:10.1039/C7DT04263A -
Selective Encapsulation and Enhancement of the Emission Properties of a Luminescent Cu(I) Complex in Mesoporous Silica
Donato, L.; Atoini, Y.; Prasetyanto, E. A.; Chen, P.; Rosticher, C.; Bizzarri, C.; Rissanen, K.; De Cola, L.
2018. Helvetica chimica acta, 101 (2), Art. Nr.: e1700273. doi:10.1002/hlca.201700273 -
Enhanced etching of tin-doped indium oxide due to surface modification by hydrogen ion injection
Li, H.; Karahashi, K.; Friederich, P.; Fink, K.; Fukasawa, M.; Hirata, A.; Nagahata, K.; Tatsumi, T.; Wenzel, W.; Hamaguchi, S.
2018. Japanese journal of applied physics, 57 (6), Art.Nr. 06JC05. doi:10.7567/JJAP.57.06JC05 -
High-Accuracy Extrapolated Ab Initio Thermochemistry of the NCN Radical
Harding, M. E.; Olzmann, M.
2018. Chemical physics letters, 706, 613–616. doi:10.1016/j.cplett.2018.06.047 -
Measurement of Magnetic Exchange in Asymmetric Lanthanide Dimetallics: Toward a Transferable Theoretical Framework
Giansiracusa, M. J.; Moreno-Pineda, E.; Hussain, R.; Marx, R.; Martínez Prada, M.; Neugebauer, P.; Al-Badran, S.; Collison, D.; Tuna, F.; Slageren, J. van; Carretta, S.; Guidi, T.; McInnes, E. J. L.; Winpenny, R. E. P.; Chilton, N. F.
2018. Journal of the American Chemical Society, 140 (7), 2504–2513. doi:10.1021/jacs.7b10714 -
Ligand Effects on the Reactivity of [CoX]
Firouzbakht, M.; Rijs, N. J.; Schlangen, M.; Kaupp, M.; Schwarz, H.
2018. Topics in catalysis, 61 (7-8), 575–584. doi:10.1007/s11244-018-0903-8 -
Continuous-time random-walk approach to supercooled liquids: Self-part of the van Hove function and related quantities
Helfferich, J.; Brisch, J.; Meyer, H.; Benzerara, O.; Ziebert, F.; Farago, J.; Baschnagel, J.
2018. The European physical journal / E, 41 (6), Art.Nr. 71. doi:10.1140/epje/i2018-11680-1 -
Efficient implementation of one- and two-component analytical energy gradients in exact two-component theory
Franzke, Y. J.; Middendorf, N.; Weigend, F.
2018. The journal of chemical physics, 148 (10), Art. Nr.: 104110. doi:10.1063/1.5022153 -
Phosphine-assisted C–H bond activation in Schiff bases and formation of novel organo cobalt complexes bearing Schiff base ligands
Zhang, H.; Xing, J.; Dong, Y.; Xie, S.; Ren, S.; Qi, X.; Sun, H.; Li, X.; Fuhr, O.; Fenske, D.
2018. New journal of chemistry, 42 (6), 4646–4652. doi:10.1039/C7NJ03480F -
Chemical Sensors Based on Cucurbit[n]uril Macrocycles
Sinn, S.; Biedermann, F.
2018. Israel journal of chemistry, 58 (3-4), 357–412. doi:10.1002/ijch.201700118 -
Bimetallic d10-Metal Complexes of a Bipyridine Substituted N-Heterocyclic Carbene
Kaub, C.; Lebedkin, S.; Li, A.; Kruppa, S. V.; Strebert, P. H.; Kappes, M. M.; Riehn, C.; Roesky, P. W.
2018. Chemistry - a European journal, 24 (23), 6094–6104. doi:10.1002/chem.201705757 -
Coupling Influences SMM Properties for Pure 4 f Systems
Zhang, X.; Liu, S.; Vieru, V.; Xu, N.; Gao, C.; Wang, B.-W.; Shi, W.; Chibotaru, L. F.; Gao, S.; Cheng, P.; Powell, A. K.
2018. Chemistry - a European journal, 24 (23), 6079–6086. doi:10.1002/chem.201705350 -
Machine learning of correlated dihedral potentials for atomistic molecular force fields
Friederich, P.; Konrad, M.; Strunk, T.; Wenzel, W.
2018. Scientific reports, 8 (1), Art.Nr. 2559. doi:10.1038/s41598-018-21070-0 -
Radical-lanthanide ferromagnetic interaction in a bis-phthalocyaninato complex
Komijani, D.; Ghirri, A.; Bonizzoni, C.; Klyatskaya, S.; Moreno-Pineda, E.; Ruben, M.; Soncini, A.; Affronte, M.; Hill, S.
2018. Physical review materials, 2 (2), Art.Nr. 024405. doi:10.1103/PhysRevMaterials.2.024405 -
Opposite Surface and Bulk Solvatochromic Effects in a Molecular Spin-Crossover Compound Revealed by Ambient Pressure X-ray Absorption Spectroscopy
Borgatti, F.; Torelli, P.; Brucale, M.; Gentili, D.; Panaccione, G.; Castan Guerrero, C.; Schäfer, B.; Ruben, M.; Cavallini, M.
2018. Langmuir, 34 (12), 3604–3609. doi:10.1021/acs.langmuir.8b00028 -
Functionalized Graphdiyne Nanowires : On-Surface Synthesis and Assessment of Band Structure, Flexibility, and Information Storage Potential
Klappenberger, F.; Hellwig, R.; Du, P.; Paintner, T.; Uphoff, M.; Zhang, L.; Lin, T.; Moghanaki, B. A.; Paszkiewicz, M.; Vobornik, I.; Fujii, J.; Fuhr, O.; Zhang, Y.-Q.; Allegretti, F.; Ruben, M.; Barth, J. V.
2018. Small, 14 (14), Art.Nr. 1704321. doi:10.1002/smll.201704321 -
Engineering On-Surface Spin Crossover : Spin-State Switching in a Self-Assembled Film of Vacuum-Sublimable Functional Molecule
Kumar, K. S.; Studniarek, M.; Heinrich, B.; Arabski, J.; Schmerber, G.; Bowen, M.; Boukari, S.; Beaurepaire, E.; Dreiser, J.; Ruben, M.
2018. Advanced materials, 30 (11), Art.Nr. 1705416. doi:10.1002/adma.201705416 -
Coordination ability of amino acid hydrazide ligands and their influence on magnetic properties in copper(II) coordination polymers
Androš Dubraja, L.; Jerić, I.; Puškarić, A.; Bronić, J.; Moreno-Pineda, E.
2018. CrystEngComm, 20 (17), 2396–2403. doi:10.1039/c8ce00210j -
Chiral macrocyclic terpyridine complexes
Brandl, T.; Hoffmann, V.; Pannwitz, A.; Häussinger, D.; Neuburger, M.; Fuhr, O.; Bernhard, S.; Wenger, O. S.; Mayor, M.
2018. Chemical science, 9 (15), 3837–3843. doi:10.1039/c7sc05285e -
Gold Nanoparticles Stabilized by Single Tripodal Ligands
Peters, E. H.; Lehmann, M.; Mayor, M.
2018. Particle & particle systems characterization, 35 (4), Art.Nr. 1800015. doi:10.1002/ppsc.201800015 -
Gas-Phase Ion Chemistry of Metalloporphyrin Anions with Molecular Oxygen: Probing the Influence of the Oxidation and Spin State of the Central Transition Metal by Experiment and Theory
Archipov, T.; Kirkland, J. K.; Vogiatzis, K. D.; Steiner, A.; Niedner-Schatteburg, G.; Weis, P.; Fink, K.; Hampe, O.; Kappes, M. M.
2018. The journal of physical chemistry <Washington, DC> / A, 122 (17), 4357–4365. doi:10.1021/acs.jpca.8b01715 -
Multicomponent reactions provide key molecules for secret communication
Boukis, A. C.; Reiter, K.; Froelich, M.; Hofheinz, D.; Meier, M. A. R.
2018. Nature Communications, 9, Article no 1439. doi:10.1038/s41467-018-03784-x -
Voltage-Driven Conformational Switching with Distinct Raman Signature in a Single-Molecule Junction
Bi, H.; Palma, C. A.; Gong, Y.; Hasch, P.; Elbing, M.; Mayor, M.; Reichert, J.; Barth, J. V.
2018. Journal of the American Chemical Society, 140 (14), 4835–4840. doi:10.1021/jacs.7b12818 -
Photodissociation of Free Metalloporphyrin Dimer Multianions
Jäger, P.; Brendle, K.; Schneider, E.; Kohaut, S.; Armbruster, M. K.; Fink, K.; Weis, P.; Kappes, M. M.
2018. The journal of physical chemistry <Washington, DC> / A, 122 (11), 2974–2982. doi:10.1021/acs.jpca.8b00641 -
Isotope-selective high-order interferometry with large organic molecules in free fall
Rodewald, J.; Dörre, N.; Grimaldi, A.; Geyer, P.; Felix, L.; Mayor, M.; Shayeghi, A.; Arndt, M.
2018. New journal of physics, 20 (3), Art.Nr.: 033016. doi:10.1088/1367-2630/aaade2 -
Influence of lanthanides on spin-relaxation and spin-structure in a family of Fe₇Ln₄ single molecule magnets
Prodius, D.; Mereacre, V.; Singh, P.; Lan, Y.; Mameri, S.; Johnson, D. D.; Wernsdorfer, W.; Anson, C. E.; Powell, A. K.
2018. Journal of materials chemistry / C, 6 (11), 2862–2872. doi:10.1039/c8tc00322j -
Application of spectroelectrochemistry in elucidation of electrochemical mechanism of azoquinoline dye 2-methyl-5-[(E)-phenyldiazenyl]quinolin-8-ol
Sokolová, R.; Ramešová, Š.; Degano, I.; Hromadová, M.; Szala, M.; Wantulok, J.; Nycz, J. E.; Valášek, M.
2018. Electrochimica acta, 270, 509–516. doi:10.1016/j.electacta.2018.03.096 -
Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn₄Ln₂ coordination clusters
Akhtar, M. N.; Lan, Y.; Aldamen, M. A.; Zheng, Y.-Z.; Anson, C. E.; Powell, A. K.
2018. Dalton transactions, 47 (10), 3485–3495. doi:10.1039/c7dt04304j -
Molecular spin qudits for quantum algorithms
Moreno-Pineda, E.; Godfrin, C.; Balestro, F.; Wernsdorfer, W.; Ruben, M.
2018. Chemical Society reviews, 47 (2), 501–513. doi:10.1039/C5CS00933B -
Vibronic Coupling Analysis of the Ligand-Centered Phosphorescence of Gas-Phase Gd(III) and Lu(III) 9-Oxophenalen-1-one Complexes
Chmela, J.; Greisch, J.-F.; Harding, M. E.; Klopper, W.; Kappes, M. M.; Schooss, D.
2018. The journal of physical chemistry <Washington, DC> / A, 122 (9), 2461–2467. doi:10.1021/acs.jpca.8b00006 -
Optimized auxiliary basis sets for density fitted post-Hartree-Fock calculations of lanthanide containing molecules
Chmela, J.; Harding, M. E.
2018. Molecular physics, 116 (12), 1523–1538. doi:10.1080/00268976.2018.1433336 -
(Ge₂P₂)
Mitzinger, S.; Bandemehr, J.; Reiter, K.; McIndoe, J. S.; Xie, X.; Weigend, F.; Corrigan, J. F.; Dehnen, S.
2018. Chemical communications, 54 (12), 1421–1424. doi:10.1039/c7cc08348c -
Collision Induced Dissociation of Benzylpyridinium-Substituted Porphyrins : Towards a Thermometer Scale for Multiply Charged Ions?
Brendle, K.; Kordel, M.; Schneider, E.; Wagner, D.; Bräse, S.; Weis, P.; Kappes, M. M.
2018. Journal of the American Society for Mass Spectrometry, 29 (2), 382–392. doi:10.1007/s13361-017-1835-4 -
Full quantum treatment of charge dynamics in amorphous molecular semiconductors
Vries, X. de; Friederich, P.; Wenzel, W.; Coehoorn, R.; Bobbert, P. A.
2018. Physical review / B, 97 (7), Art.Nr. 075203. doi:10.1103/PhysRevB.97.075203 -
Templated Formation of Luminescent Virus-like Particles by Tailor-Made Pt(II) Amphiphiles
Sinn, S.; Yang, L.; Biedermann, F.; Wang, D.; Kübel, C.; Cornelissen, J. J. L. M.; Cola, L. D.
2018. Journal of the American Chemical Society, 140 (6), 2355–2362. doi:10.1021/jacs.7b12447 -
Cryo IR Spectroscopy of N₂ and H₂ on Ru₈⁺ : The Effect of N₂ on the H-Migration
Dillinger, S.; Klein, M. P.; Steiner, A.; McDonald, D. C.; Duncan, M. A.; Kappes, M. M.; Niedner-Schatteburg, G.
2018. The journal of physical chemistry letters, 9 (4), 914–918. doi:10.1021/acs.jpclett.8b00093 -
Complex supramolecular interfacial tessellation through convergent multi-step reaction of a dissymmetric simple organic precursor
Zhang, Y.-Q.; Paszkiewicz, M.; Du, P.; Zhang, L.; Lin, T.; Chen, Z.; Klyatskaya, S.; Ruben, M.; Seitsonen, A. P.; Barth, J. V.; Klappenberger, F.
2018. Nature chemistry, 10 (3), 296–304. doi:10.1038/nchem.2924 -
Experimental characterization and simulation of amino acid and peptide interactions with inorganic materials
Schwaminger, S.; Blank-Shim, S. A.; Borkowska-Panek, M.; Anand, P.; Fraga-García, P.; Fink, K.; Wenzel, W.; Berensmeier, S.
2018. Engineering in life sciences, 18 (2), 84–100. doi:10.1002/elsc.201700019 -
Built-In Potentials Induced by Molecular Order in Amorphous Organic Thin Films
Friederich, P.; Rodin, V.; Wrochem, F. von; Wenzel, W.
2018. ACS applied materials & interfaces, 10 (2), 1881–1887. doi:10.1021/acsami.7b11762 -
Synthesis and Characterization of a Heterometallic Extended Architecture Based on a Manganese(II)-Substituted Sandwich-Type Polyoxotungstate
Ibrahim, M.; Moreno-Pineda, E.; Bergfeldt, T.; Anson, C.; Powell, A.
2018. Materials, 11 (1), 155. doi:10.3390/ma11010155 -
The multi-state energy landscape of the SAM-I riboswitch : A single-molecule Förster resonance energy transfer spectroscopy study
Manz, C.; Kobitski, A. Y.; Samanta, A.; Jäschke, A.; Nienhaus, G. U.
2018. The journal of chemical physics, 148 (12), Art.Nr. 123324. doi:10.1063/1.5003783 -
The Furan Microsolvation Blind Challenge for Quantum Chemical Methods : First steps
Gottschalk, H. C.; Poblotzki, A.; Suhm, M. A.; Al-Mogren, M. M.; Antony, J.; Auer, A. A.; Baptista, L.; Benoit, D. M.; Bistoni, G.; Bohle, F.; Dahmani, R.; Firaha, D.; Grimme, S.; Hansen, A.; Harding, M. E.; Hochlaf, M.; Holzer, C.; Jansen, G.; Klopper, W.; Kopp, W. A.; Kröger, L. C.; Leonhard, K.; Mouhib, H.; Neese, F.; Pereira, M. N.; Ulusoy, I. S.; Wuttke, A.; Mata, R. A.
2018. The journal of chemical physics, 148 (1), Art.Nr.: 014301. doi:10.1063/1.5009011 -
Probing magnetic coupling between LnPc₂ (Ln = Tb, Er) molecules and the graphene/Ni (111) substrate with and without Au-intercalation : Role of the dipolar field
Corradini, V.; Candini, A.; Klar, D.; Biagi, R.; Renzi, V. D.; Lodi Rizzini, A.; Cavani, N.; Pennino, U. D.; Klyatskaya, S. V.; Ruben, M.; Velez-Fort, E.; Kummer, K.; Brookes, N. B.; Gargiani, P.; Wende, H.; Affronte, M.
2018. Nanoscale, 10 (1), 277–283. doi:10.1039/c7nr06610d -
1D and 3D Polymeric Manganese(II) Thiolato Complexes: Synthesis, Structure and Properties of [Mn4(SPh)8] and [Mn(SMes)2]
Eichhöfer, A.; Lebedkin, S.
2018. Inorganic chemistry, 57 (2), 602–608. doi:10.1021/acs.inorgchem.7b02411
2017
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Synthesis of a new phosphorylated ethylamine, thereon based phosphonamidates and their application as flame retardants
Garth, K.; Klinkowski, C.; Fuhr, O.; Döring, M.
2017. Heteroatom chemistry, 28 (6), Article: e21407. doi:10.1002/hc.21407 -
Synthesis and reactivity of iron hydride with [P, Se]-chelate ligand
Zhou, H.; Luan, H.; Zheng, T.; Qi, X.; Sun, H.; Li, X.; Fuhr, O.; Fenske, D.
2017. Journal of organometallic chemistry, 853, 107–112. doi:10.1016/j.jorganchem.2017.10.037 -
Mario Ruben
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2017. Angewandte Chemie / International edition, 57 (11), 2850. doi:10.1002/anie.201711461 -
Vinyl/Phenyl Exchange Reaction within Vinyl Nickel Complexes Bearing Chelate [P, S]-Ligands
Xue, B.; Sun, H.; Ren, S.; Li, X.; Fuhr, O.
2017. Organometallics, 36 (21), 4246–4255. doi:10.1021/acs.organomet.7b00671 -
Synthesis, structure and electrochemistry of the dinickel(II)-containing 30-tungsto-4-phosphate [Ni₂Na₂(H₂O)2(P₂W
Kortz, U.; Mbome, I.-M.; Amoassi, M. B.; Avo Bile, B.; Oliveira, P. de; S. Bassil, B.; Ibrahim, M.; S. Mougharbel, A.; Lin, Z.
2017. Current Inorganic Chemistry, 7 (1). doi:10.2174/1877944107666171106162812 -
Characterization of the light induced excited spin state of a heterometallic FePt₂ complex by high-field Mössbauer spectroscopy
Bauer, T.; Omlor, A.; Auerbach, H.; Jenni, K.; Schäfer, B.; Diller, R.; Ruben, M.; Schünemann, V.
2017. Hyperfine interactions, 238 (1), 98. doi:10.1007/s10751-017-1464-0 -
A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties
Polgar, A. M.; Weigend, F.; Zhang, A.; Stillman, M. J.; Corrigan, J. F.
2017. Journal of the American Chemical Society, 139 (40), 14045–14048. doi:10.1021/jacs.7b09025 -
Between Localization and Delocalization: Ru(cod)
Lichtenberger, N.; Spang, N.; Eichhöfer, A.; Dehnen, S.
2017. Angewandte Chemie / International edition, 56 (43), 13253–13258. doi:10.1002/anie.201707632 -
Adatom Coadsorption with Three-Dimensional Cyclophanes on Ag(111)
Scheil, K.; Lorente, N.; Bocquet, M.-L.; Hess, P. C.; Mayor, M.; Berndt, R.
2017. The journal of physical chemistry <Washington, DC> / C, 121 (45), 25303–25308. doi:10.1021/acs.jpcc.7b08953 -
Anti-inflammatory effect of active nanofibrous polymeric membrane bearing nanocontainers of atorvastatin complexes
Schwinté, P.; Mariotte, A.; Anand, P.; Keller, L.; Idoux-Gillet, Y.; Huck, O.; Fioretti, F.; Tenenbaum, H.; Georgel, P.; Wenzel, W.; Irusta, S.; Benkirane-Jessel, N.
2017. Nanomedicine, 12 (23), 2651–2674. doi:10.2217/nnm-2017-0198 -
Terminal Alkyne Coupling on a Corrugated Noble Metal Surface: From Controlled Precursor Alignment to Selective Reactions
Lin, T.; Zhang, L.; Björk, J.; Chen, Z.; Ruben, M.; Barth, J. V.; Klappenberger, F.
2017. Chemistry - a European journal, 23 (62), 15588–15593. doi:10.1002/chem.201701735 -
Aggregation-Induced Electrochemiluminescence of Platinum(II) Complexes
Carrara, S.; Aliprandi, A.; Hogan, C. F.; Cola, L. D.
2017. Journal of the American Chemical Society, 139 (41), 14605–14610. doi:10.1021/jacs.7b07710 -
SMM behaviour and magnetocaloric effect in heterometallic 3d–4f coordination clusters with high azide : metal ratios
Schmidt, S. F. M.; Merkel, M. P.; Kostakis, G. E.; Buth, G.; Anson, C. E.; Powell, A. K.
2017. Dalton transactions. doi:10.1039/C7DT03149A -
Stepwise Investigation of the Influences of Steric Groups versus Counterions To Target Cu/Dy Complexes
Kühne, I. A.; Griffiths, K.; Hutchings, A.-J.; Townrow, O. P. E.; Eichhöfer, A.; Anson, C. E.; Kostakis, G. E.; Powell, A. K.
2017. Crystal growth & design, 17 (10), 5178–5190. doi:10.1021/acs.cgd.7b00648 -
Molecular origin of the anisotropic dye orientation in emissive layers of organic light emitting diodes
Friederich, P.; Coehoorn, R.; Wenzel, W.
2017. Chemistry of materials, 29 (21), 9528–9535. doi:10.1021/acs.chemmater.7b03742 -
Rational In Silico Design of an Organic Semiconductor with Improved Electron Mobility
Friederich, P.; Gómez, V.; Sprau, C.; Meded, V.; Strunk, T.; Jenne, M.; Magri, A.; Symalla, F.; Colsmann, A.; Ruben, M.; Wenzel, W.
2017. Advanced materials, 29 (43), Art.Nr. 1703505. doi:10.1002/adma.201703505 -
Binding patterns of homo-peptides on bare magnetic nanoparticles: insights into environmental dependence
Blank-Shim, S. A.; Schwaminger, S. P.; Borkowska-Panek, M.; Anand, P.; Yamin, P.; Fraga-García, P.; Fink, K.; Wenzel, W.; Berensmeier, S.
2017. Scientific reports, 7 (1), 14047. doi:10.1038/s41598-017-13928-6 -
Structural origins of the cohesive energy in metal-terpyridine oligomer thin-films
Meded, V.; Knorr, N.; Neumann, T.; Nelles, G.; Wenzel, W.; Wrochem, F. von
2017. Physical chemistry, chemical physics, 19 (41), 27952–27959. doi:10.1039/C7CP05488B -
Sequential nested assembly at the liquid/solid interface
Karamzadeh, B.; Eaton, T.; Torres, D. M.; Cebula, I.; Mayor, M.; Buck, M.
2017. Faraday discussions, 204, 173–190. doi:10.1039/C7FD00115K -
Synthesis of trinorbornane
Bizzini, L. D.; Müntener, T.; Häussinger, D.; Neuburger, M.; Mayor, M. A.
2017. Chemical communications, 83, 11399–11402. doi:10.1039/C7CC06273G -
Synthesis of a Silyl Cobalt Hydride and Its Catalytic Performance in Kumada Coupling Reactions
Shilu Xu; Xiaoyan Li; Benjing Xue; Hongjian Sun; Olaf Fuhr; Dieter Fenske; Peng Zhang
2017. Chemistry & industry, 12 (11), 1234–1239. doi:10.1002/asia.201700144 -
Spatial and Lateral Control of Functionality by Rigid Molecular Platforms
Valášek, M.; Mayor, M.
2017. Chemistry - a European journal, 23 (55), 13538–13548. doi:10.1002/chem.201703349 -
Decoupled Associative and Dissociative Processes in Strong yet Highly Dynamic Host-Guest Complexes
Appel, E. A.; Biedermann, F.; Hoogland, D.; Barrio, J. del; Driscoll, M. D.; Hay, S.; Wales, D. J.; Scherman, O. A.
2017. Journal of the American Chemical Society, 139 (37), 12985–12993. doi:10.1021/jacs.7b04821 -
Flyscan opportunities in medicine : The case of quantum rattle based on gold quantum dots
Esteve, E.; Reguer, S.; Boissiere, C.; Chaneac, C.; Lugo, G.; Jouanneau, C.; Mocuta, C.; Thiaudiere, D.; Leclercq, N.; Leyh, B.; Greisch, J.-F.; Berthault, J.; Daudon, M.; Ronco, P.; Bazin, D.
2017. Journal of synchrotron radiation, 24 (5), 991–999. doi:10.1107/S1600577517009572 -
Defined tetranuclear coinage metal chains
Kaub, C.; Lebedkin, S. F.; Bestgen, S.; Köppe, R.; Kappes, M. M.; Roesky, P. W.
2017. Chemical communications, 53 (69), 9578–9581. doi:10.1039/c7cc04705c -
Synthesis and Optical Properties of [Cu
Eichhöfer, A.; Kühn, M.; Lebedkin, S.; Kehry, M.; Kappes, M. M.; Weigend, F.
2017. Inorganic chemistry, 56 (15), 9330–9336. doi:10.1021/acs.inorgchem.7b01495 -
Segmented Contracted Error-Consistent Basis Sets of Double- and Triple-ζ Valence Quality for One- and Two-Component Relativistic All-Electron Calculations
Pollak, P.; Weigend, F.
2017. Journal of chemical theory and computation, 13 (8), 3696–3705. doi:10.1021/acs.jctc.7b00593 -
Spacer type mediated tunable spin crossover (SCO) characteristics of pyrene decorated 2,6-bis(pyrazol-1-yl)pyridine (bpp) based Fe(II) molecular spintronic modules
Kumar, K. S.; Šalitroš, I.; Moreno-Pineda, E.; Ruben, M.
2017. Dalton transactions, 46 (30), 9765–9768. doi:10.1039/c7dt02219k -
Tailoring the volatility and stability of oligopeptides
Schätti, J.; Sezer, U.; Pedalino, S.; Cotter, J. P.; Arndt, M.; Mayor, M.; Köhler, V.
2017. Journal of mass spectrometry, 52 (8), 550–556. doi:10.1002/jms.3959 -
Assembly of [2]Rotaxanes in Water
Aeschi, Y.; Drayss-Orth, S.; Valášek, M.; Raps, F.; Häussinger, D.; Mayor, M.
2017. European journal of organic chemistry, 2017 (28), 4091–4103. doi:10.1002/ejoc.201700640 -
1D and 2D Graphdiynes : Recent Advances on the Synthesis at Interfaces and Potential Nanotechnological Applications
Chen, Z.; Molina-Jirón, C.; Klyatskaya, S. V.; Klappenberger, F.; Ruben, M.
2017. Annalen der Physik, 529 (11), Art.Nr. 1700056. doi:10.1002/andp.201700056 -
Influence of the charge of the complex unit on the SCO properties in pyrazolyl-pyridinyl-benzimidazole based Fe(II) complexes
Rajnák, C.; Schäfer, B.; Šalitroš, I.; Fuhr, O.; Ruben, M.; Boča, R.
2017. Polyhedron, 135, 189–194. doi:10.1016/j.poly.2017.06.035 -
Nuclear Spin Isomers : Engineering a Et₄N[DyPc₂] Spin Qudit
Moreno-Pineda, E.; Damjanović, M.; Fuhr, O.; Wernsdorfer, W.; Ruben, M.
2017. Angewandte Chemie / International edition, 56 (33), 9915–9919. doi:10.1002/anie.201706181 -
Calculations of current densities and aromatic pathways in cyclic porphyrin and isoporphyrin arrays
Franzke, Y. J.; Sundholm, D.; Weigendb, F.
2017. Physical chemistry, chemical physics, 19 (20), 12794–12803. doi:10.1039/c7cp00624a -
Photoisomerization of Bis(tridentate) 2,6-Bis(1H-pyrazol-1-yl)pyridine Ligands Exhibiting a Multi-anthracene Skeleton
Šalitroš, I.; Fuhr, O.; Gál, M.; Valášek, M.; Ruben, M.
2017. Chemistry - a European journal, 23 (42), 10100–10109. doi:10.1002/chem.201700825 -
An NHC-phosphinidenyl as a synthon for new group 13/15 compounds
Lemp, O.; Balmer, M.; Reiter, K.; Weigend, F.; Von Hänisch, C.
2017. Chemical communications, 53 (54), 7620–7623. doi:10.1039/c7cc04422d -
Systematic studies of hexanuclear M
Chen, S.; Mereacre, V.; Kostakis, G. E.; Anson, C. E.; Powell, A. K.
2017. Inorganic chemistry frontiers, 4 (6), 927–934. doi:10.1039/c7qi00091j -
Pyrazolo[4,3-h]quinoline Ligand-Based Iridium(III) Complexes for Electrochemiluminescence
Hsu, C.-W.; Longhi, E.; Sinn, S.; Hawes, C. S.; Young, D. C.; Kruger, P. E.; Cola, L.
2017. Chemistry, 12 (13), 1649–1658. doi:10.1002/asia.201700556 -
Long-pulse laser launch and ionization of tailored large neutral silver nanoparticles with atomic mass assignment
Gallego, A.; Sezer, U.; Arndt, M.; Mayor, M.
2017. Nanoscale, 9 (26), 9175–9180. doi:10.1039/c7nr03297h -
A Molecular Turnstile as an E-Field-Triggered Single-Molecule Switch: Concept and Synthesis
Le Pleux, L.; Kapatsina, E.; Hildesheim, J.; Häussinger, D.; Mayor, M.
2017. European journal of organic chemistry, 2017 (22), 3165–3178. doi:10.1002/ejoc.201700318 -
One-Dimensionally Disordered Chiral Sorting by Racemic Tiling in a Surface-Confined Supramolecular Assembly of Achiral Tectons
Zhang, Y.-Q.; Lin, T.; Cirera, B.; Hellwig, R.; Palma, C.-A.; Chen, Z.; Ruben, M.; Barth, J. V.; Klappenberger, F.
2017. Angewandte Chemie / International edition, 56 (27), 7797–7802. doi:10.1002/anie.201702771 -
Molecular Graph Paper
Lindner, M.; Valášek, M.; Mayor, M.; Frauhammer, T.; Wulfhekel, W.; Gerhard, L.
2017. Angewandte Chemie / International edition, 56 (28), 8290–8294. doi:10.1002/anie.201703586 -
Field-Induced Co(II) Single-Ion Magnets with mer-Directing Ligands but Ambiguous Coordination Geometry
Peng, Y.; Mereacre, V.; Anson, C. E.; Zhang, Y.; Bodenstein, T.; Fink, K.; Powell, A. K.
2017. Inorganic chemistry, 56 (11), 6056–6066. doi:10.1021/acs.inorgchem.6b02743 -
Search for Electron Delocalization from [Fe(CN)₆]³- to the Dication of Viologen in (DNP)₃[Fe(CN)₆]₂·10H₂O
Abouelwafa, A. S.; Hauser, A.; Mereacre, V.; Lan, Y.; Long, G. J.; Grandjean, F.; Buth, G.; Anson, C. E.; Powell, A. K.
2017. Inorganic chemistry, 56 (11), 6477–6488. doi:10.1021/acs.inorgchem.7b00540 -
Size Matters: Influence of Gold-to-Ligand Ratio and Sulfur-Sulfur Distance of Linear Thioether Heptamers on the Size of Gold Nanoparticles
Lehmann, M.; Peters, E. H.; Mayor, M.
2017. Helvetica chimica acta, 100 (4), Art. Nr.: e1600395. doi:10.1002/hlca.201600395 -
Bis(6-methylene-2,2’-bipyridine)phenylphosphine : A Flexible Ligand for the Construction of Trinuclear Coinage-Metal Complexes
Schäfer, S.; Gamer, M. T.; Lebedkin, S.; Weigend, F.; Kappes, M. M.; Roesky, P. W.
2017. Chemistry - a European journal, 23 (50), 12198–12209. doi:10.1002/chem.201701091 -
Pulses of Ca2+ coordinate actin assembly and exocytosis for stepwise cell extension
Takeshita, N.; Evangelinos, M.; Zhou, L.; Serizawa, T.; Somera-Fajardo, R. A.; Lu, L.; Takaya, N.; Nienhaus, G. U.; Fischer, R.
2017. Proceedings of the National Academy of Sciences of the United States of America, 114 (22), 5701–5706. doi:10.1073/pnas.1700204114 -
Metal Complexes of a Redox-Active [1]Phosphaferrocenophane : Structures, Electrochemistry and Redox-Induced Catalysis
Feyrer, A.; Armbruster, M. K.; Fink, K.; Breher, F.
2017. Chemistry - a European journal, 23 (31), 7402–7408. doi:10.1002/chem.201783162 -
An alternative method to access diverse N,N′-diquaternised-3,3′-biquinoxalinium “biquinoxen” dications
Leblanc, N.; Sproules, S.; Powell, A. K.
2017. New journal of chemistry, 41 (8), 2949–2954. doi:10.1039/C7NJ00531H -
Photo-assisted water oxidation by high-nuclearity cobalt-oxo cores: tracing the catalyst fate during oxygen evolution turnover
Natali, M.; Bazzan, I.; Goberna-Ferrón, S.; Al-Oweini, R.; Ibrahim, M.; Bassil, B. S.; Dau, H.; Scandola, F.; Galán-Mascarós, J. R.; Kortz, U.; Sartorel, A.; Zaharieva, I.; Bonchio, M.
2017. Green chemistry, 19 (10), 2416–2426. doi:10.1039/C7GC00052A -
Synthesis and Structure of Low-valent η⁴-Cinnamaldehyde Cobalt Complexes
Geng, Y.; Chen, J.; Zhao, H.; Sun, H.; Xue, B.; Li, X.; Fuhr, O.; Fenske, D.
2017. Zeitschrift für anorganische und allgemeine Chemie, 643, 712–716. doi:10.1002/zaac.201700073 -
Glucose-Modified Silicon Nanoparticles for Cellular Imaging
Hsu, C.-W.; Septiadi, D.; Lai, C.-H.; Chen, P.; Seeberger, P. H.; De Cola, L.
2017. ChemPlusChem, 82 (4), 660–667. doi:10.1002/cplu.201700054 -
Microwave-Mediated Synthesis of Bulky Lanthanide Porphyrin–Phthalocyanine Triple-Deckers: Electrochemical and Magnetic Properties
Jin, H.-G.; Jiang, X.; Kühne, I. A.; Clair, S.; Monnier, V.; Chendo, C.; Novitchi, G.; Powell, A. K.; Kadish, K. M.; Balaban, T. S.
2017. Inorganic chemistry, 56 (9), 4864–4873. doi:10.1021/acs.inorgchem.6b03056 -
A Three-Pronged Attack To Investigate the Electronic Structure of a Family of Ferromagnetic Fe4Ln2 Cyclic Coordination Clusters: A Combined Magnetic Susceptibility, High-Field/High-Frequency Electron Paramagnetic Resonance, and57Fe Mössbauer Study
Schmidt, S. F. M.; Koo, C.; Mereacre, V.; Park, J.; Heermann, D. W.; Kataev, V.; Anson, C. E.; Prodius, D.; Novitchi, G.; Klingeler, R.; Powell, A. K.
2017. Inorganic chemistry, 56 (9), 4796–4806. doi:10.1021/acs.inorgchem.6b02682 -
The role of coordinated solvent on Co(II) ions in tuning the single molecule magnet properties in a {CoII2DyIII2} system
Peng, Y.; Mereacre, V.; Anson, C. E.; Powell, A. K.
2017. Dalton transactions, 46 (16), 5337–5343. doi:10.1039/C7DT00548B -
Emerging trends in spin crossover (SCO) based functional materials and devices
Senthil Kumar, K.; Ruben, M.
2017. Coordination chemistry reviews, 346, 176–205. doi:10.1016/j.ccr.2017.03.024 -
Deltoid versus Rhomboid: Controlling the Shape of Bis-ferrocene Macrocycles by the Bulkiness of the Substituents
Hoffmann, V.; Le Pleux, L.; Häussinger, D.; Unke, O. T.; Prescimone, A.; Mayor, M.
2017. Organometallics, 36 (4), 858–866. doi:10.1021/acs.organomet.6b00909 -
Formation of 2-Azaallyl Cobalt(I) Complexes by Csp³-H Bond Activation
Xing, J.; Sun, H.; Xue, B.; Li, X.; Fuhr, O.; Fenske, D.
2017. Organometallics, 36 (5), 975–980. doi:10.1021/acs.organomet.6b00884 -
A platform with connections in many directions - Further remarkable facets to the multifaceted methylbiquinoxen dication
Leblanc, N.; Genovese, D.; De Cola, L.; Powell, A. K.
2017. Physical chemistry, chemical physics, 19 (10), 6981–6988. doi:10.1039/c6cp07538j -
Formation of Organometallic Intermediate States in On-Surface Ullmann Couplings
Barton, D.; Gao, H.-Y.; Held, P. A.; Studer, A.; Fuchs, H.; Doltsinis, N. L.; Neugebauer, J.
2017. Chemistry - a European journal, 23 (25), 6190–6197. doi:10.1002/chem.201605802 -
Chirality in curved polyaromatic systems
Rickhaus, M.; Mayor, M.; Juríček, M.
2017. Chemical Society reviews, 46 (6), 1643–1660. doi:10.1039/c6cs00623j -
[Ag₁₁₅S₃₄(SCH₂C₆H₄
Bestgen, S.; Fuhr, O.; Breitung, B.; Chakravadhanula, V. S. K.; Guthausen, G.; Hennrich, F.; Yu, W.; Kappes, M. M.; Roesky, P. W.; Fenske, D.
2017. Chemical science, 8 (3), 2235–2240. doi:10.1039/c6sc04578b -
Selective photodissociation of tailored molecular tags as a tool for quantum optics
Sezer, U.; Geyer, P.; Kriegleder, M.; Debiossac, M.; Shayeghi, A.; Arndt, M.; Felix, L.; Mayor, M.
2017. Beilstein journal of nanotechnology, 8 (1), 325–333. doi:10.3762/bjnano.8.35 -
Reactions of iron(II) hydrides formed by selective C–F/C–H bond activation in fluoroaryl-imines
Wang, L.; Sun, H.; Zuo, Z.; Xue, B.; Li, X.; Fuhr, O.; Fenske, D.
2017. Inorganica chimica acta, 461, 64–70. doi:10.1016/j.ica.2017.02.009 -
Molecular weaving via surface-templated epitaxy of crystalline coordination networks
Wang, Z.; Blaszczyk, A.; Fuhr, O.; Heissler, S.; Wöll, C.; Mayor, M.
2017. Nature Communications, 8, 14442. doi:10.1038/ncomms14442 -
Catalytic hydrosilylation of carbonyl compounds by hydrido thiophenolato iron(II) complexes
Xue, B.; Sun, H.; Niu, Q.; Li, X.; Fuhr, O.; Fenske, D.
2017. Catalysis communications, 94, 23–28. doi:10.1016/j.catcom.2017.02.008 -
Single-Molecule Magnets: Giant Hysteresis of Single-Molecule Magnets Adsorbed on a Nonmagnetic Insulator (Adv. Mater. 26/2016)
Wäckerlin, C.; Donati, F.; Singha, A.; Baltic, R.; Rusponi, S.; Diller, K.; Patthey, F.; Pivetta, M.; Lan, Y.; Klyatskaya, S.; Ruben, M.; Brune, H.; Dreiser, J.
2017. Advanced materials, 28 (26), 5142. doi:10.1002/adma.201670180 -
Covalent-Bond Formation via On-Surface Chemistry
Held, P. A.; Fuchs, H.; Studer, A.
2017. Chemistry - a European journal. doi:10.1002/chem.201604047 -
p-Doping of polystyrene polymers with attached functional side-groups from solution
Schneider, T.; Limberg, F.; Yao, K.; Armin, A.; Jürgensen, N.; Czolk, J.; Ebenhoch, B.; Friederich, P.; Wenzel, W.; Behrends, J.; Krüger, H.; Colsmann, A.
2017. Journal of materials chemistry / C, 5 (3), 770–776. doi:10.1039/c6tc02346k -
Optical properties of trinuclear metal chalcogenolate complexes-room temperature NIR fluorescence in [Cu
Kühn, M.; Lebedkin, S.; Weigend, F.; Eichhöfer, A.
2017. Dalton transactions, 46 (5), 1502–1509. doi:10.1039/c6dt04287b -
Vibrational circular dichroism spectra for large molecules and molecules with heavy elements
Reiter, K.; Kühn, M.; Weigend, F.
2017. The journal of chemical physics, 146 (5), Art. Nr.: 054102. doi:10.1063/1.4974897 -
The chemical space of PbN−nBin and (PbN−nBin)+: A systematic study for N = 3-13
Seifried, C.; Longo, L.; Pollak, P.; Weigend, F.
2017. The journal of chemical physics, 146 (3), Art. Nr.: 034304. doi:10.1063/1.4973838 -
Correlation of the structural information obtained for europium-chelate ensembles from gas-phase photoluminescence and ion-mobility spectroscopy with density-functional computations and ligand-field theory
Greisch, J.-F.; Chmela, J.; Harding, M. E.; Wunderlich, D.; Schäfer, B.; Ruben, M.; Klopper, W.; Schooss, D.; Kappes, M. M.
2017. Physical chemistry, chemical physics, 19 (8), 6105–6112. doi:10.1039/C6CP04656H -
Epitaxy-Induced Assembly and Enantiomeric Switching of an On-Surface Formed Dinuclear Organocobalt Complex
Hellwig, R.; Paintner, T.; Chen, Z.; Ruben, M.; Seitsonen, A. P.; Klappenberger, F.; Brune, H.; Barth, J. V.
2017. ACS nano, 11 (2), 1347–1359. doi:10.1021/acsnano.6b06114 -
A luminescent Pt₂Fe spin crossover complex
Schäfer, B.; Bauer, T.; Faus, I.; Wolny, J. A.; Dahms, F.; Fuhr, O.; Lebedkin, S.; Wille, H.-C.; Schlage, K.; Chevalier, K.; Rupp, F.; Diller, R.; Schünemann, V.; Kappes, M. M.; Ruben, M.
2017. Dalton transactions, 46 (7), 2289–2302. doi:10.1039/C6DT04360G -
Five mononuclear pentacoordinate Co(II) complexes with field-induced slow magnetic relaxation
Rajnák, C.; Titiš, J.; Miklovič, J.; Kostakis, G. E.; Fuhr, O.; Ruben, M.; Boča, R.
2017. Polyhedron, 126, 174–183. doi:10.1016/j.poly.2017.01.028 -
Generalized Born Implicit Solvent Models for Small Molecule Hydration Free Energies
Brieg, M.; Setzler, J.; Albert, S.; Wenzel, W.
2017. Physical chemistry, chemical physics, 19, 1677–1685. doi:10.1039/C6CP07347F -
Platinum Complex Assemblies as Luminescent Probes and Tags for Drugs and Toxins in Water
Sinn, S.; Biedermann, F.; De Cola, L.
2017. Chemistry - a European journal, 23 (8), 1965–1971. doi:10.1002/chem.201605169 -
Low spin Fe(II) complexes formed of monosubstitued 2,6-bis(2-benzimidazolyl)pyridine ligands
Rajnák, C.; Titiš, J.; Fuhr, O.; Ruben, M.; Boča, R.
2017. Polyhedron, 123, 122–131. doi:10.1016/j.poly.2016.11.009 -
Exchange-bias quantum tunnelling in a CO₂-based Dy₄-single molecule magnet
Pineda, E. M.; Lan, Y.; Fuhr, O.; Wernsdorfer, W.; Ruben, M.
2017. Chemical science, 8 (2), 1178–1185. doi:10.1039/C6SC03184F -
Coinage Metal Complexes of Bis-Alkynyl-Functionalized N-Heterocyclic Carbenes : Reactivity, Photophysical Properties, and Quantum Chemical Investigations
Kiefer, C.; Bestgen, S.; Gamer, M. T.; Kühn, M.; Lebedkin, S.; Weigend, F.; Kappes, M. M.; Roesky, P. W.
2017. Chemistry - a European journal, 23 (7), 1591–1603. doi:10.1002/chem.201604292 -
Synthesis and reactivity of silyl iron hydride via Sisingle bondH bond activation
Shi, Y.; Li, X.; Zheng, T.; Xue, B.; Zhang, S.; Sun, H.; Fuhr, O.; Fenske, D.
2017. Inorganica chimica acta, 455 (1), 112–117. doi:10.1016/j.ica.2016.10.017 -
Disorder trapping by rapidly moving phase interface in an undercooled liquid
Galenko, P.; Danilov, D.; Nizovtseva, I.; Reuther, K.; Rettenmayr, M.
2017. 16th International Conference on Liquid and Amorphous Metals, Bad Godesberg, Germany, 4th - 9th September 2016, Art.Nr.: 05001, EDP Sciences. doi:10.1051/epjconf/201715105001 -
Trapped Ion Electron Diffraction of Metal Cluster Ions
Schooss, D.; Kappes, M. M.
2017. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, Elsevier. doi:10.1016/B978-0-12-409547-2.12963-4 -
Self-Assembly in Aqueous Media
Biedermann, F.
2017. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering - Comprehensive Supramolecular Chemistry II, 241–268, Elsevier. doi:10.1016/B978-0-12-409547-2.12487-4 -
Switching Behavior of Tripodal Molecules on Au(111) Studied With STM
Gerhard, L.; Valášek, M.
2017. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering. Ed.: J. Reedijk, Elsevier. doi:10.1016/B978-0-12-409547-2.14156-3
2016
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Observation of the influence of dipolar and spin frustration effects on the magnetocaloric properties of a trigonal prismatic \{Gd-7\} molecular nanomagnet
Pineda, E. M.; Lorusso, G.; Zangana, K. H.; Palacios, E.; Schnack, J.; Evangelisti, M.; Winpenny, R. E. P.; McInnes, E. J. L.
2016. Chemical science, 7 (8), 4891–4895. doi:10.1039/c6sc01415a -
Copper Keplerates: High-Symmetry Magnetic Molecules
Palacios, M. A.; Pineda, E. M.; Sanz, S.; Inglis, R.; Pitak, M. B.; Coles, S. J.; Evangelisti, M.; Nojiri, H.; Heesing, C.; Brechin, E. K.; Schnack, J.; Winpenny, R. E. P.
2016. ChemPhysChem, 17 (1), 55–60. doi:10.1002/cphc.201500956 -
Steric Clash in the SET Domain of Histone Methyltransferase NSD1 as a Cause of Sotos Syndrome and Its Genetic Heterogeneity in a Brazilian Cohort
Ha, K.; Anand, P.; Lee, J.; Jones, J.; Kim, C.; Bertola, D.; Labonne, J.; Layman, L.; Wenzel, W.; Kim, H.-G.
2016. Genes, 7 (11), Art. Nr.: 96. doi:10.3390/genes7110096 -
A Controlled Route to a Luminescent 3 d10–5 d10 Sulfido Cluster Containing Unique AuCu2(μ3-S) Motifs
Polgar, A. M.; Khadka, C. B.; Azizpoor Fard, M.; Nikkel, B.; O’Donnell, T.; Neumann, T.; Lahring, K.; Thompson, K.; Cadogan, C.; Weigend, F.; Corrigan, J. F.
2016. Chemistry - a European journal, 22 (51), 18378–18382. doi:10.1002/chem.201604880 -
Breakable Hybrid Organosilica Nanocapsules for Protein Delivery
Prasetyanto, E. A.; Bertucci, A.; Septiadi, D.; Corradini, R.; Castro-Hartmann, P.; De Cola, L.
2016. Angewandte Chemie / International edition, 55 (10), 3323–3327. doi:10.1002/anie.201508288 -
Surface confinement of TbPc₂-SMMs: structural, electronic and magnetic properties
Moreno Pineda, E.; Komeda, T.; Katoh, K.; Yamashita, M.; Ruben, M.
2016. Dalton transactions, 45 (46), 18417–18433. doi:10.1039/C6DT03298B -
Homoleptic Chiral Benzamidinate Complexes of Rare-Earth Elements: Synthesis, Structure, Luminescence, and Magnetism
He, M.; Chen, Z.; Pineda, E. M.; Liu, X.; Bouwman, E.; Ruben, M.; Roesky, P. W.
2016. European journal of inorganic chemistry, (36), 5512–5518. doi:10.1002/ejic.201600851 -
Concomitant partial exon skipping by a unique missense mutation of RPS6KA3 causes Coffin–Lowry syndrome
Labonne, J. D. J.; Chung, M. J.; Jones, J. R.; Anand, P.; Wenzel, W.; Iacoboni, D.; Layman, L. C.; Kim, H.-G.
2016. Gene, 575 (1), 42–47. doi:10.1016/j.gene.2015.08.032 -
Ruthenium Cluster Structure Change Induced by Hydrogen Adsorption: Ru₁₉-
Bumüller, D.; Hehn, A.-S.; Waldt, E.; Ahlrichs, R.; Kappes, M. M.; Schooss, D.
2016. The journal of physical chemistry <Washington, DC> / C, 121 (20), 10645–10652. doi:10.1021/acs.jpcc.6b09521 -
Controlled manipulation of the Co–Alq₃ interface by rational design of Alq₃ derivatives
Großmann, N.; Magri, A.; Laux, M.; Stadtmüller, B.; Thielen, P.; Schäfer, B.; Fuhr, O.; Ruben, M.; Cinchetti, M.; Aeschlimann, M.
2016. Dalton transactions, 45 (45), 18365–18376. doi:10.1039/C6DT03183H -
Synthesis and characterization of a mixed-valent Mn11–La2 aggregate with benzoate
Akhtar, M. N.; Lan, Y.; Mereacre, V.; AlDamen, M. A.; Anson, C. E.; Powell, A. K.
2016. Monatshefte für Chemie, 148 (5), 887–891. doi:10.1007/s00706-016-1820-9 -
Magnetic anisotropy of a CoII single ion magnet with distorted trigonal prismatic coordination: theory and experiment
Peng, Y.; Bodenstein, T.; Fink, K.; Mereacre, V.; Anson, C. E.; Powell, A. K.
2016. Physical chemistry, chemical physics, 18 (43), 30135–30143. doi:10.1039/C6CP03157A -
Promoted Exchange Reaction between Alkanethiolate Self-Assembled Monolayers and an Azide-Bearing Substituent
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How Far can the Anisotropy Deviate from Uniaxiality in a Dy-Based Single-Molecule Magnet? Dinuclear Dy(III) Complex Study
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Relay-Like Exchange Mechanism through a Spin Radical between TbPc₂ Molecules and Graphene/Ni(111) Substrates
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Selective C–F and C–H Activation of Fluoroarenes by Fe(PMe₃)₄ and Catalytic Performance of Iron Hydride in Hydrosilylation of Carbonyl Compounds
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The selective activation of a C–F bond with an auxiliary strong Lewis acid: a method to change the activation preference of C–F and C–H bonds
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Activation of CO
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Spin Helicity in Chiral Lanthanide Chains
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Supramolecular 3d–4f single-molecule magnet architectures
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{[CuSn₅Sb₃]²⁻}₂: A Dimer of Inhomogeneous Superatoms
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A combined experimental and quantum chemical study on thallium(I) tris(pyrazolyl)methanide
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Nanomolar Binding of Steroids to Cucurbit[n]urils: Selectivity and Applications
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Efficient reductive dehydration of primary amides to nitriles catalyzed by hydrido thiophenolato iron(II) complexes under hydrosilation conditions
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A Ratiometric Luminescent Switch Based on Platinum Complexes Tethered to a Crown-Ether Scaffold
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Divergent Coordination Chemistry: Parallel Synthesis of [2x2] Iron(II) Grid-Complex Tauto-Conformers
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Importance of the Anchor Group Position (Para versus Meta) in Tetraphenylmethane Tripods: Synthesis and Self-Assembly Features
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CO2 Binding and Induced Structural Collapse of a Surface-Supported Metal-Organic Network
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A new class of epitaxial porphyrin metal-organic framework thin films with extremely high photocarrier generation efficiency: promising materials for all-solid-state solar cells
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From Planar to Cage in 15 Easy Steps: Resolving the C60H21F9– → C60– Transformation by Ion Mobility Mass Spectrometry
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Solvent-Induced Polymorphism of Iron(II) Spin Crossover Complexes
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Synthesis and molecular structure of a spheroidal binary nanoscale copper sulfide cluster
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Fast Targeting and Cancer Cell Uptake of Luminescent Antibody-Nanozeolite Bioconjugates
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Syntheses and structural characterization of amphiphilic mononuclear complexes [FeIII(L)(X)2] (X = Br, SCN)
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Surface-Guided Formation of an Organocobalt Complex
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Adamantyl- and Furanyl-Protected Nanoscale Silver Sulfide Clusters
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A switchable self-assembling and disassembling chiral system based on a porphyrin-substituted phenylalanine-phenylalanine motif
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Supramolecular reactions of metallo-architectures: Ag₂-double-helicate/Zn₄-grid, Pb₄-grid/Zn₄-grid interconversions, and Ag₂-double-helicate fusion
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C-Au Covalently Bonded Molecular Junctions Using Nonprotected Alkynyl Anchoring Groups
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Synthesis and Characterization of Diorganocobalt Chlorides by Aliphatic Vinylic C–Cl Bond Activation
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Ligand-lipid and ligand-core affinity control the interaction of gold nanoparticles with artificial lipid bilayers and cell membranes
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Main Group Metal-Actinide Magnetic Coupling and Structural Response Upon U
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First heterometallic GaIII-DyIII single-molecule magnets: Implication of GaIII in extracting Fe-Dy interaction
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Bilayer of Terbium Double-Decker Single-Molecule Magnets
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Multitechnique investigation of Dy3-implications for coupled lanthanide clusters
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Ultrarobust Thin-Film Devices from Self-Assembled Metal-Terpyridine Oligomers
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Rotationally Restricted 1,1′-Bis(phenylethynyl)ferrocene Subunits in Macrocycles
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Molecular Origin of the Charge Carrier Mobility in Small Molecule Organic Semiconductors
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Erratum: Alkynyl-functionalized gold NHC complexes and their coinage metal clusters (Dalton Transactions, 2015, 44 S.13662-13670)
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Experimental Binding Energies in Supramolecular Complexes
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Ab initio charge-carrier mobility model for amorphous molecular semiconductors
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Mechano- and Photochromism from Bulk to Nanoscale: Data Storage on Individual Self-Assembled Ribbons
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Enhancing Electrochemiluminescence of Chalcogenide Clusters by Means of Mn Replacement
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Identification of the current path for a conductive molecular wire on a tripodal platform
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A fascinating multifaceted redox-Active chelating ligand: Introducing the: N, N ′-dimethyl-3,3′-biquinoxalinium "methylbiquinoxen" platform
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An Undecanuclear Ferrimagnetic Cu₉Dy₂ Single Molecule Magnet Achieved through Ligand Fine-Tuning
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Early-Late Heterometallic Complexes of Gold and Zirconium: Photoluminescence and Reactivity
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Giant Hysteresis of Single-Molecule Magnets Adsorbed on a Nonmagnetic Insulator
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Penetrating the Elusive Mechanism of Copper-Mediated Fluoromethylation in the Presence of Oxygen through the Gas-Phase Reactivity of Well-Defined [LCuO]⁺ Complexes with Fluoromethanes (CH(4-n)Fn, n = 1-3)
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Strain-induced helical chirality in polyaromatic systems
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Breakable mesoporous silica nanoparticles for targeted drug delivery
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Q and Soret Band Photoexcitation of Isolated Palladium Porphyrin Tetraanions Leads to Delayed Emission of Nonthermal Electrons over Microsecond Time Scales
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Mixed-Valent Mn16-Containing Heteropolyanions: Tuning of Oxidation State and Associated Physicochemical Properties
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Molecular and Electronic Structure of the Cluster [Au₈(PPh₃)₈](NO₃)₂
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Internal C–C Bond Rotation in Photoisomers of α-Bisimines: A Light-Responsive Two-Step Molecular Speed Regulator Based on Double Imine Photoswitching
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Controlled Folding, Motional, and Constitutional Dynamic Processes of Polyheterocyclic Molecular Strands
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Gas-Phase Photoluminescence Characterization of Stoichiometrically Pure Nonanuclear Lanthanoid Hydroxo Complexes Comprising Europium or Gadolinium
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Rigid multipodal platforms for metal surfaces
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Influence of Meso and Nanoscale Structure on the Properties of Highly Efficient Small Molecule Solar Cells
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Understanding of multimetallic cluster growth
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Unusual metal-ligand charge transfer in ferrocene functionalized μ₃-O iron carboxylates observed with Mössbauer spectroscopy
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Biodegradable Peptide-Silica Nanodonuts
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Time-resolved photoelectron spectroscopy of a dinuclear Pt(II) complex: Tunneling autodetachment from both singlet and triplet excited states of a molecular dianion
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Field-Induced Slow Magnetic Relaxation in the Ni(I) Complexes [NiCl(PPh₃)₂]·C₄H₈O and [Ni(N(SiMe₃)₂)(PPh₃)₂]
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Linear Tetraphenylmethane-Based Thioether Oligomers Stabilising an Entire Gold Nanoparticle by Enwrapping
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Chiral Porous Metacrystals: Employing Liquid-Phase Epitaxy to Assemble Enantiopure Metal-Organic Nanoclusters into Molecular Framework Pores
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Spin-communication channels between Ln(III) bis-phthalocyanines molecular nanomagnets and a magnetic substrate
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Heptanickel(II) double-cubane core in wells-dawson heteropolytungstate, [Ni₇(OH)₆(H₂O)₆(P₂W₁₅O₅₆)₂]¹⁶⁻
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Effect of Mg²⁺ and Ti⁴⁺ dopants on the structural, magnetic and high-frequency ferromagnetic properties of barium hexaferrite
Shams, M. H.; Rozatian, A. S. H.; Yousefi, M. H.; Valicek, J.; Sepelak, V.
2016. Journal of Magnetism and Magnetic Materials, 399, 10–18. doi:10.1016/j.jmmm.2015.08.099 -
Single-molecule magnet behavior in 2,2 ’-bipyrimidine-bridged dilanthanide complexes
Yu, W.; Schramm, F.; Moreno Pineda, E.; Lan, Y.; Fuhr, O.; Chen, J.; Isshiki, H.; Wernsdorfer, W.; Wulfhekel, W.; Ruben, M.
2016. Beilstein journal of nanotechnology, 7, 126–137. doi:10.3762/bjnano.7.15 -
Effect of Ligand Field Tuning on the SMM Behavior for Three Related Alkoxide-Bridged Dysprosium Dimers
Peng, Y.; Mereacre, V.; Baniodeh, A.; Lan, Y.; Schlageter, M.; Kostakis, G. E.; Powell, A. K.
2016. Inorganic Chemistry, 55 (1), 68–74. doi:10.1021/acs.inorgchem.5b01793 -
Nine members of a family of nine-membered cyclic coordination clusters; Fe₆Ln₃ wheels (Ln = Gd to Lu and Y)
Kühne, I. A.; Mereacre, V.; Anson, C. E.; Powell, A. K.
2016. Chemical Communications, 52 (5), 1021–1024. doi:10.1039/c5cc08887a -
Surface induces different crystal structures in a room temperature switchable spin crossover compound
Gentili, D.; Liscio, F.; Demitri, N.; Schäfer, B.; Borgatti, F.; Torelli, P.; Gobaut, B.; Panaccione, G.; Rossi, G.; Degli Esposti, A.; Gazzano, M.; Milita, S.; Bergenti, I.; Ruani, G.; Salitros, I.; Ruben, M.; Cavallini, M.
2016. Dalton transactions, 45 (1), 134–143. doi:10.1039/C5DT03712C -
Controlling and imaging biomimetic self-assembly
Aliprandi, A.; Mauro, M.; Cola, L. D.
2016. Nature chemistry, 8 (1), 10–15. doi:10.1038/nchem.2383 -
Differential Many-Body Cooperativity in Electronic Spectra of Oligonuclear Transition-Metal Complexes
Chmela, J.; Harding, M. E.; Matioszek, D.; Anson, C. E.; Breher, F.; Klopper, W.
2016. ChemPhysChem, 17 (1), 37–45. doi:10.1002/cphc.201500626 -
A single molecule magnet to single molecule magnet transformation via a solvothermal process: Fe₄Dy₂ →Fe₆Dy₃
Chen, S.; Mereacre, V.; Anson, C. E.; Powell, A. K.
2016. Dalton Transactions, 45 (1), 98–106. doi:10.1039/C5DT03909F -
Direct surface visualization of biofilms with high spin coordination clusters using Magnetic Resonance Imaging
Ranzinger, F.; Herrling, M. P.; Lackner, S.; Grande, V. W.; Baniodeh, A.; Powell, A. K.; Horn, H.; Guthausen, G.
2016. Acta biomaterialia, 31, 167–177. doi:10.1016/j.actbio.2015.12.007 -
Modeling peptide adsorption on inorganic surfaces
Anand, P.; Borkowska-Panek, M.; Gußmann, F.; Fink, K.; Wenzel, W.
2016. Computational Methods in Systems Biology : 14th International Conference (CMSB), Cambridge, UK, September 21-23, 2016. Ed.: E. Bartocci, 339–340, Springer-Verlag
2015
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A family of fourteen soluble stable macrocyclic [Ni II 3 LnIII] heterometallic 3d-4f complexes
Feltham, H. L. C.; Dhers, S.; Rouzieres, M.; Clerac, R.; Powell, A. K.; Brooker, S.
2015. Inorganic Chemistry Frontiers, 2 (11), 982–990. doi:10.1039/c5qi00130g -
Diagnostic implementation of fast and selective integrin-mediated adhesion of cancer cells on functionalized zeolite L monolayers
Greco, A.; Maggini, L.; De Cola, L.; De Marco, R.; Gentilucci, L.
2015. Bioconjugate Chemistry, 26 (9), 1873–1878. doi:10.1021/acs.bioconjchem.5b00350 -
Synthesis and characterization of 8-Yttrium(III)-containing 81-tungsto-8-arsenate(III), [Y₈(CH₃COO)(H₂O)₁₈(As₂W₁₉O₆₈)₄(W₂O₆)₂(WO₄)]⁴⁴⁻
Ibrahim, M.; Bassil, B. S.; Kortz, U.
2015. Inorganics, 3, 267–278. doi:10.3390/inorganics3020267 -
A Ca²⁺-, Mg²⁺-, and Zn²⁺-based dendritic contractile nanodevice with two pH-dependent motional functions
Stadler, A. M.; Karmazin, L.; Bailly, C.
2015. Angewandte Chemie / International edition, 54, 14570–14574. doi:10.1002/anie.201506474 -
Tuning helical chirality in polycyclic ladder systems
Rickhaus, M.; Unke, O. T.; Mannancherry, R.; Bannwart, L. M.; Neuburger, M.; Häussinger, D.; Mayor, M.
2015. Chemistry - a European journal, 21, 18156–18167. doi:10.1002/chem.201503202 -
Self-assembly of a giant tetrahedral 3 d-4 f single-molecule magnet within a polyoxometalate system
Ibrahim, M.; Mereacre, V.; Leblanc, N.; Wernsdorfer, W.; Anson, C. E.; Powell, A. K.
2015. Angewandte Chemie / International edition, 54 (51), 15574–15578. doi:10.1002/anie.201504663 -
A charge neutral iron(II) complex with an above room temperature spin crossover (SCO) and hysteresis loop
Kumar, K. S.; Salitros, I.; Heinrich, B.; Fuhr, O.; Ruben, M.
2015. Journal of materials chemistry / C, 3 (44), 11635–11644. doi:10.1039/C5TC02079D -
Modulating the charge injection in organic field-effect transistors: Fluorinated oligophenyl self-assembled monolayers for high work function electrodes
Fenwick, O.; Van Dyck, C.; Murugavel, K.; Cornil, D.; Reinders, F.; Haar, S.; Mayor, M.; Cornil, J.; Samori, P.
2015. Journal of materials chemistry / C, 3 (13), 3007–3015. doi:10.1039/C5TC00243E -
Exchange bias of TbPc₂ molecular magnets on antiferromagnetic FeMn and ferromagnetic Fe films
Nistor, C.; Krull, C.; Mugarza, A.; Stepanow, S.; Stamm, C.; Soares, M.; Klyatskaya, S.; Ruben, M.; Gambardella, P.
2015. Physical review / B, 92 (18), 184402/1–7. doi:10.1103/PhysRevB.92.184402 -
Photoluminescence spectroscopy of mass-selected electrosprayed ions embedded in cryogenic rare-gas matrixes
Kern, B.; Greisch, J. F.; Strelnikov, D.; Weis, P.; Böttcher, A.; Ruben, M.; Schäfer, B.; Schooss, D.; Kappes, M. M.
2015. Analytical chemistry, 87 (23), 11901–11906. doi:10.1021/acs.analchem.5b03491 -
Effect of adduct formation with molecular nitrogen on the measured collisional cross sections of transition metal-1,10-phenanthroline complexes in traveling wave ion-mobility spectrometry: N2 is not always an "inert" buffer gas
Rijs, N. J.; Weiske, T.; Schlangen, M.; Schwarz, H.
2015. Analytical chemistry, 87, 9769–9776. doi:10.1021/acs.analchem.5b01985 -
Multiparticle moves in acceptance rate optimized Monte Carlo
Neumann, T.; Danilov, D.; Wenzel, W.
2015. Journal of computational chemistry, 36 (30), 2236–2245. doi:10.1002/jcc.24205 -
Experimental and theoretical study of phase separation in ZnPc:C₆₀ blends
Mönch, T.; Sherkar, T. S.; Koster, L. J. A.; Friederich, P.; Riede, M.; Formanek, P.; Koerner, C.; Vandewal, K.; Wenzel, W.; Leo, K.
2015. Organic electronics, 27, 183–191. doi:10.1016/j.orgel.2015.09.023 -
Single-molecule spin switch based on voltage-triggered distortion of the coordination sphere
Harzmann, G. D.; Frisenda, R.; Van Der Zant, H. S. J.; Mayor, M.
2015. Angewandte Chemie / International edition, 54 (45), 13425–13430. doi:10.1002/anie.201505447 -
Experimental and theoretical investigations of the electronic band structure of metal-organic frameworks of HKUST-1 type
Gu, Z. G.; Heinke, L.; Wöll, C.; Neumann, T.; Wenzel, W.; Li, Q.; Fink, K.; Gordan, O. D.; Zahn, D. R. T.
2015. Applied physics letters, 107 (18), 183301/1–6. doi:10.1063/1.4934737 -
Synthetic molecular motors: Thermal N inversion and directional photoinduced C=N Bond Rotation of Camphorquinone Imines
Greb, L.; Eichhöfer, A.; Lehn, J. M.
2015. Angewandte Chemie / International edition, 54 (48), 14345–14348. doi:10.1002/anie.201506691 -
Magnetic interactions in a Series of homodinuclear lanthanide complexes
Großhauser, M.; Klingeler, R.; Koo, C.; Lan, Y.; Müller, D.; Park, J.; Powell, A.; Riley, M. J.; Wadepohl, H.
2015. Inorganic chemistry, 54 (23), 11247–11258. doi:10.1021/acs.inorgchem.5b01673 -
Dinuclear lanthanide(III)/zinc(II) complexes with methyl 2-pyridyl ketone oxime
Anastasiadis, N. C.; Polyzou, C. D.; Kostakis, G. E.; Bekiari, V.; Lan, Y.; Perlepes, S. P.; Konidaris, K. F.; Powell, A. K.
2015. Dalton transactions, 44, 19791–19795. doi:10.1039/C5DT03663A -
GW100 : Benchmarking G₀W₀ for molecular systems
Setten, M. J. van; Caruso, F.; Sharifzadeh, S.; Ren, X.; Scheffler, M.; Liu, F.; Lischner, J.; Lin, L.; Deslippe, J. R.; Louie, S. G.; Yang, C.; Weigend, F.; Neaton, J. B.; Evers, F.; Rinke, P.
2015. Journal of chemical theory and computation, 11 (12), 5665–5687. doi:10.1021/acs.jctc.5b00453 -
Off-diagonal self-energy terms and partially self-consistency in GW calculations for single molecules: Efficient implementation and quantitative effects on ionization potentials
Kaplan, F.; Weigend, F.; Evers, F.; Setten, M. J. van
2015. Journal of chemical theory and computation, 11 (11), 5152–5160. doi:10.1021/acs.jctc.5b00394 -
Magnetic interplay between two different lanthanides in a tris-phthalocyaninato complex: a viable synthetic route and detailed investigation in the bulk and on the surface
Lan, Y.; Klyatskaya, S.; Ruben, M.; Fuhr, O.; Wernsdorfer, W.; Candini, A.; Corradini, V.; Lodi Rizzini, A.; Del Pennino, U.; Troiani, F.; Joly, L.; Klar, D.; Wende, H.; Affronte, M.
2015. Journal of materials chemistry / C, 3 (38), 9794–9801. doi:10.1039/c5tc02011e -
Retraction
Mahato, R. N.; Lülf, H.; Siekman, M. H.; Kersten, S. P.; Bobbert, P. A.; Jong, M. P. de; De Cola, L.; Wiel, W. G. van der
2015. Science, 350 (6257), 170. doi:10.1126/science.350.6257.170-a -
Fast Atomic Charge Calculation for Implementation into a Polarizable Force Field and Application to an Ion Channel Protein
Witter, R.; Möllhoff, M.; Koch, F.-T.; Sternberg, U.
2015. Journal of Chemistry, 908204/1–14. doi:10.1155/2015/908204 -
{μ-PbSe}: A heavy CO homologue as an unexpected ligand
Thiele, G.; Franzke, Y.; Weigend, F.; Dehnen, S.
2015. Angewandte Chemie / International edition, 54, 11283–11288. doi:10.1002/anie.201504863 -
Luminescence in phosphine-stabilized copper chalcogenide cluster molecules - A comparative study
Eichhöfer, A.; Buth, G.; LEbedkin, S.; Kühn, M.; Weigend, F.
2015. Inorganic chemistry, 54, 9413–9422. doi:10.1021/acs.inorgchem.5b01146 -
Self-assembly of bis(phthalocyaninato)terbium on metal surfaces
Deng, Z.; Rauschenbach, S.; Stepanow, S.; Klyatskaya, S.; Ruben, M.; Kern, K.
2015. Physica scripta, 90 (9), 098003/1–9. doi:10.1088/0031-8949/90/9/098003 -
Syntheses, structures and theoretical investigations of [Au₁₀S₂(PPh₂)₂(dppma2)₄(dppma3)] · [Au₆S₂(dppma2)₂(dppma3)]
Yu, W.; Guggolz, L.; Fuhr, O.; Fenske, D.; Dehnen, S.
2015. Dalton transactions, 44, 9363–9366. doi:10.1039/C5DT01360G -
Tetranuclear and pentanuclear compounds of the rare-earth metals: Synthesis and magnetism
Yadav, M.; Mondal, A.; Mereacre, V.; Jana, S. K.; Powell, A. K.; Roesky, P. W.
2015. Inorganic chemistry, 54, 7846–7856. doi:10.1021/acs.inorgchem.5b00899 -
Synthesis, structure and thermal decomposition of the bismuth silyltellurolate Bi(TeSitBu₂Ph)₃
Traut, S.; Stahl, S.; Eichhöfer, A.; Hänisch, C. von
2015. Zeitschrift für anorganische und allgemeine Chemie, 641, 1200–1202. doi:10.1002/zaac.201400558 -
On reduction of the drug diflunisal in non-aqueous media
Tiribilli, C.; Sokolova, R.; Giannarelli, S.; Valasek, M.
2015. Monatshefte für Chemie, 146, 807–812. doi:10.1007/s00706-014-1390-7 -
Impact of the extended 1,1’-Bipyridinium structure on the electron transfer and π-dimer formation. Spectroelectrochemical and computational study
Tarabek, J.; Kolivoska, V.; Gal, M.; Pospisil, L.; Valasek, M.; Kaminsky, J.; Hromadova, M.
2015. The journal of physical chemistry <Washington, DC> / C, 119, 18056–18065. doi:10.1021/acs.jpcc.5b04388 -
Laser-induced acoustic desorption of natural and functionalized biochromophores
Sezer, U.; Wörner, L.; Horak, J.; Felix, L.; Tüxen, J.; Götz, C.; Vaziri, A.; Mayor, M.; Arndt, M.
2015. Analytical chemistry, 87, 5614–5619. doi:10.1021/acs.analchem.5b00601 -
Synthesis and photophysical properties of GemPhos noble metal complexes
Sarcher, C.; Bestgen, S.; Falk, F. C.; Lebedkin, S.; Paradies, J.; Roesky, P. W.
2015. Journal of organometallic chemistry, 795, 11–17. doi:10.1016/j.jorganchem.2015.02.033 -
Molecular materials - towards quantum properties
Ruben, M.
2015. Beilstein journal of nanotechnology, 6, 1485–1486. doi:10.3762/bjnano.6.153 -
Generalized effective-medium model for the carrier mobility in amorphous organic semiconductors
Rodin, V.; Symalla, F.; Meded, V.; Friederich, P.; Danilov, D.; Poschlad, A.; Nelles, G.; Wrochem, F. von; Wenzel, W.
2015. Physical Review B, 91 (15), Article no: 155203. doi:10.1103/PhysRevB.91.155203 -
Tuning the magneto-optical response of TbPc₂ single molecule magnets by the choice of the substrate
Robaschik, P.; Fronk, M.; Toader, M.; Klyatskaya, S.; Ganss, F.; Siles, P. F.; Schmidt, O. G.; Albrecht, M.; Hietschold, M.; Ruben, M.; Zahn, D. R. T.; Salvan, G.
2015. Journal of materials chemistry / C, 3, 8039–8049. doi:10.1039/C5TC01520K -
Coordination cluster nuclearity decreases with decreasing rare earth ionic radius in 1:1 Cr/Ln N -butyldiethanolamine compounds: A journey across the lanthanide series from CrIII₄La₄-CrIII₄Tb₄ via CrIII₃Dy₃ and CrIII₃Ho₃ to CrIII₂Er₂-CrIII₂Lu₂
Rinck, J.; Lan, Y.; Anson, C. E.; Powell, A. K.
2015. Inorganic chemistry, 54, 3107–3117. doi:10.1021/ic502930p -
Toward fast and accurate evaluation of charge on-site energies and transfer integrals in supramolecular architectures using linear constrained density functional theory (CDFT)-based methods
Ratcliff, L. E.; Grisanti, L.; Genovese, L.; Deutsch, T.; Neumann, T.; Danilov, D.; Wenzel, W.; Beljonne, D.; Cornil, J.
2015. Journal of chemical theory and computation, 11, 2077–2086. doi:10.1021/acs.jctc.5b00057 -
Au nanoparticle scaffolds modulating intermolecular interactions among the conjugated azobenzenes chemisorbed on curved surfaces: Tuning the kinetics of cis-trans isomerisation
Raimondo, C.; Kenens, B.; Reinders, F.; Mayor, M.; Uji-I, H.
2015. Nanoscale, 7, 13836–13839. doi:10.1039/C5NR03688G -
Squashed {Fe₂IIIM₄III} octahedra (M = Y, Gd, Dy) from the first use of the cyanoacetate ligand in 3d/4f coordination chemistry
Polyzou, C. D.; Baniodeh, A.; Magnani, N.; Mereacre, V.; Zill, N.; Anson, C. E.; Perlepes, S. P.; Powell, A. K.
2015. RSC Advances, 5, 10763–10767. doi:10.1039/C4RA15458D -
Activation enthalpies and entropies of the atropisomerization of substituted butyl-bridged biphenyls
Bihlmeier, A.; Rotzler, J.; Rickhaus, M.; Mayor, M.; Klopper, W.
2015. Physical chemistry, chemical physics, 17, 11165–11173. doi:10.1039/C4CP06009A -
Di- And trinuclear gold complexes of diphenylphosphinoethyl-functionalised imidazolium salts and their N-heterocyclic carbenes: Synthesis and photophysical properties
Bestgen, S.; Garner, M. T.; Lebedkin, S.; Kapes, M. M.; Roesky, P. W.
2015. Chemistry - a European journal, 21, 601–614. doi:10.1002/chem.201404985 -
An approach to more accurate model systems for purple acid phosphatases (PAPs)
Bernhardt, P. V.; Bosch, S.; Comba, P.; Gahan, L. R.; Hanson, G. R.; Mereacre, V.; Noble, C. J.; Powell, A. K.; Schenk, G.; Wadepohl, H.
2015. Inorganic chemistry, 54, 7249–7263. doi:10.1021/acs.inorgchem.5b00628 -
Mirrorless dye doped ionic liquid lasers
Barna, V.; De Cola, L.
2015. Optics express, 23, 11936–11945. doi:10.1364/OE.23.011936 -
Ligand field variations: Tuning the toroidal moment of Dy₆ rings
Baniodeh, A.; Magnani, N.; Bräse, S.; Anson, C. E.; Powell, A. K.
2015. Dalton transactions, 44, 6343–6347. doi:10.1039/C5DT00237K -
Recent advances in phosphorescent Pt (II) complexes featuring metallophilic interactions: Properties and applications
Aliprandi, A.; Genovese, D.; Mauro, M.; De Cola, L.
2015. Chemistry letters, 44, 1152–1169. doi:10.1246/cl.150592 -
Sterically hindered luminescent PtII-Phosphite complexes for electroluminescent devices
Mydlak, M.; Yang, C. H.; Polo, F.; Galstyan, A.; Daniliuc, C. G.; Felicetti, M.; Leonhardt, J.; Strassert, C. A.; De Cola, L.
2015. Chemistry - a European journal, 21 (13), 5165–5172. doi:10.1002/chem.201405839 -
A strongly spin-frustrated FeIII₇ complex with a canted intermediate spin ground state of S=7/2 or 9/2
Mondal, K. C.; Mereacre, V.; Kostakis, G. E.; Lan, Y.; Anson, C. E.; Prisecaru, I.; Waldmann, O.; Powell, A. K.
2015. Chemistry - a European journal, 21 (30), 10835–10842. doi:10.1002/chem.201500841 -
A temperature induced ferrocene-ferrocenium interconversion in a ferrocene functionalized μ3-O chromium carboxylate
Mereacre, V.; Schlageter, M.; Powell, A. K.
2015. Journal of magnetism and magnetic materials, 381, 478–480. doi:10.1016/j.jmmm.2015.01.038 -
Ab initio study of the adsorption of small molecules on metal-organic frameworks with oxo-centered trimetallic building units: The role of the undercoordinated metal ion
Mavrandonakis, A.; Vogiatzis, K. D.; Boese, A. D.; Fink, K.; Heine, T.; Klopper, W.
2015. Inorganic chemistry, 54 (17), 8251–8263. doi:10.1021/acs.inorgchem.5b00689 -
Influence of the metal salt on the self-assembly of isophthaloylbis-β-alanine and Cu(II) ion
Lymperopoulou, S.; Dokorou, V. N.; Tsipis, A. C.; Weidler, P. G.; Plakatouras, J. C.; Powell, A. K.; Kostakis, G. E.
2015. Polyhedron, 89, 313–321. doi:10.1016/j.poly.2015.01.023 -
Approaching the limit of CuII/CuI mixed valency in a CuIBr₂-N-methylquinoxalinium hybrid compound
Leblanc, N.; Sproules, S.; Pasquier, C.; Auban-Senzier, P.; Raffy, H.; Powell, A. K.
2015. Chemical communications, 51 (64), 12740–12743. doi:10.1039/C5CC04142B -
Highly luminescent charge-neutral europium(III) and terbium(III) complexes with tridentate nitrogen ligands
Kumar, S. K.; Schäfer, B.; Lebedkin, S.; Karmazin, L.; Kappes, M. M.; Ruben, M.
2015. Dalton transactions, 44 (35), 15611–15619. doi:10.1039/C5DT02186C -
A magnetically highly frustrated CuII₂₇ coordination cluster containing a Cu₁₈ folded-sheet motif
Kühne, I. A.; Kostakis, G. E.; Anson, C. E.; Powell, A. K.
2015. Chemical communications, 51 (13), 2702–2705. doi:10.1039/C4CC09469G -
Stereoselective formation of coordination polymers with 1,4-diaminonaphthalene on various Cu substrates
Knor, M.; Gao, H. Y.; Amirjalayer, S.; Studer, A.; Gao, H.; Du, A.; Fuchs, H.
2015. Chemical communications, 51 (54), 10854–10857. doi:10.1039/C5CC03130C -
Tetradecanuclear Iron(III)-Oxo nanoclusters stabilized by trilacunary heteropolyanions
Ibrahim, M.; Haider, A.; Xiang, Y.; Bassil, B. S.; Carey, A. M.; Rullik, L.; Jameson, G. B.; Doungmene, F.; Mbomekalle, I. M.; De Oliveira, P.; Mereacre, V.; Kostakis, G. E.; Powell, A. K.; Kortz, U.
2015. Inorganic chemistry, 54 (13), 6136–6146. doi:10.1021/acs.inorgchem.5b00124 -
Multi-modal sensing in spin crossover compounds
Gentili, D.; Demitri, N.; Schäfer, B.; Liscio, F.; Bergenti, I.; Ruani, M.; Ruben, M.; Cavallini, M.
2015. Journal of materials chemistry / C, 3 (30), 7836–7844. doi:10.1039/C5TC00845J -
In-plane Van der Waals interactions of molecular self-assembly monolayer
Gao, H. Y.; Wagner, H.; Held, P. A.; Du, S.; Gao, H. J.; Studer, A.; Fuchs, H.
2015. Applied Physics Letters, 106 (8), 081606/1–5. doi:10.1063/1.4907777 -
New 4,4’-Bis(9-carbazolyl)-biphenyl derivatives with locked carbazole-biphenyl junctions: High-triplet state energy materials
Gantenbein, M.; Hellstern, M.; Le Pleux, L.; Neuburger, M.; Mayor, M.
2015. Chemistry of materials, 27 (5), 1772–1779. doi:10.1021/cm5045754 -
QM/QM approach to model energy disorder in amorphous organic semiconductors
Friederich, P.; Meded, V.; Symalla, F.; Elstner, M.; Wenzel, W.
2015. Journal of chemical theory and computation, 11 (2), 560–567. doi:10.1021/ct501023n -
Reduction of Mn-19 coordination Clusters on a Gold surface
Dreiser, J.; Ako, A. M.; Wackerlin, C.; Heidler, J.; Anson, C. E.; Powell, A. K.; Piamonteze, C.; Nolting, F.; Rusponi, S.; Brune, H.
2015. The journal of physical chemistry <Washington, DC> / C, 119 (7), 3550–3555. doi:10.1021/jp510240b -
Developing a "highway Code" to steer the structural and electronic properties of FeIII/DyIII coordination clusters
Chen, S.; Mereacre, V.; Prodius, D.; Kostakis, G. E.; Powell, A. K.
2015. Inorganic chemistry, 54 (7), 3218–3227. doi:10.1021/ic502809y -
Alkynyl-functionalized gold NHC complexes and their coinage metal clusters
Kiefer, C.; Bestgen, S.; Gamer, M. T.; Lebedkin, S.; Kappes, M. M.; Roesky, P. W.
2015. Dalton Transactions, 44 (30), 13662–13670. doi:10.1039/c5dt02228b -
Spin transition in arrays of gold nanoparticles and spin crossover molecules
Devid, E. J.; Martinho, P. N.; Kamalakar, M. V.; Salitros, I.; Prendergast, U.; Dayen, J. F.; Meded, V.; Lemma, T.; Gonzalez-Prieto, R.; Evers, F.; Keyes, T. E.; Ruben, M.; Doudin, B.; Molen, S. J. van der
2015. ACS nano, 9 (4), 4496–4507. doi:10.1021/acsnano.5b01103 -
Magnetic interaction between a radical spin and a single-molecule magnet in a molecular spin-valve
Urdampilleta, M.; Klyatskaya, S.; Ruben, M.; Wernsdorfer, W.
2015. ACS Nano, 9, 4458–4464. doi:10.1021/acsnano.5b01056 -
Charge carrier mobility and electronic properties of Al(Op)₃: Impact of excimer formation
Magri, A.; Friederich, P.; Schäfer, B.; Fattori, V.; Sun, X.; Strunk, T.; Meded, V.; Hueso, L. E.; Wenzel, W.; Ruben, M.
2015. Beilstein journal of nanotechnology, 6 (1), 1107–1115. doi:10.3762/bjnano.6.112 -
Kondo effect in binuclear metal-organic complexes with weakly interacting spins
Zhang, L.; Bagrets, A.; Xenioti, D.; Korytar, R.; Schackert, M.; Miyamachi, T.; Schramm, F.; Fuhr, O.; Chandrasekar, R.; Alouani, M.; Ruben, M.; Wulfhekel, W.; Evers, F.
2015. Physical review / B, 91, 195424/1–11. doi:10.1103/PhysRevB.91.195424 -
Bi- and trimetallic rare-earth-palladium complexes ligated by phosphinoamides
Völcker, F.; Mück, F. M.; Vogiatzis, D.; Fink, K.; Roesky, P. W.
2015. Chemical communications, 51, 11761–11764. doi:10.1039/C5CC03944D -
Tris(3,5-dimethylpyrazolyl)methane-based heterobimetallic complexes that contain Zn- And Cd-transition-metal bonds: Synthesis, structures, and quantum chemical calculations
Meyer, J.; Gonzalez-Gallardo, S.; Hohnstein, S.; Garnier, D.; Armbruster, M. K.; Fink, K.; Klopper, W.; Breher, F.
2015. Chemistry - a European journal, 21 (7), 2905–2914. doi:10.1002/chem.201405397 -
Coupled-cluster reference values for the GW27 and GW100 test sets for the assessment of GW methods
Krause, K.; Harding, M. E.; Klopper, W.
2015. Molecular Physics, 113, 1952–1960. doi:10.1080/00268976.2015.1025113 -
One-electron energies from the two-component GW method
Kühn, M.; Weigend, F.
2015. Journal of chemical theory and computation, 11 (3), 969–979. doi:10.1021/ct501069b -
Two-component hybrid time-dependent density functional theory within the Tamm-Dancoff approximation
Kühn, M.; Weigend, F.
2015. The journal of chemical physics, 142 (3), 034116/1–9. doi:10.1063/1.4905829 -
[(Pb₆I₈){Mn(CO)₅}₆]²⁻: An octahedral (M₆X₈)-like cluster with inverted bonding
Wolf, S.; Reiter, K.; Weigend, F.; Klopper, W.; Feldmann, C.
2015. Inorganic chemistry, 54, 3989–3994. doi:10.1021/acs.inorgchem.5b00170 -
[V@Ge
Mitzinger, S.; Broeckaert, L.; Massa, W.; Weigend, F.; Dehnen, S.
2015. Chemical communications, 51 (18), 3866–3869. doi:10.1039/c4cc10086g -
Simple but effective: Thermally stable Cu-ESiMe3via NHC ligation
Fard, M. A.; Weigend, F.; Corrigan, J. F.
2015. Chemical communications, 51 (39), 8361–8364. doi:10.1039/c5cc00940e -
The hyperfine structure in the rotational spectra of D₂¹⁷O and HD¹⁷O: Confirmation of the absolute nuclear magnetic shielding scale for oxygen
Puzzarini, C.; Cazzoli, G.; Harding, M. E.; Vazquez, J.; Gauss, J.
2015. The journal of chemical physics, 142, 124308/1–9. doi:10.1063/1.4916068 -
Millimeter- and submillimeter-wave spectroscopy of disulfur dioxide, OSSO
Martin-Drumel, M. A.; Wijngaarden, J. van; Zingsheim, O.; Lewen, F.; Harding, M. E.; Schlemmer, S.; Thorwirth, S.
2015. Journal of molecular spectroscopy, 307, 33–39. doi:10.1016/j.jms.2014.11.007 -
Synthesis, characterization, monolayer assembly and 2D lanthanide coordination of a linear terphenyl-di(propiolonitrile) linker on Ag(111)
Chen, Z.; Klyatskaya, S.; Urgel, J. I.; Ecija, D.; Fuhr, O.; Auwärter, W.; Barth, J. V.; Ruben, M.
2015. Beilstein journal of nanotechnology, 6, 327–335. doi:10.3762/bjnano.6.31 -
Peptoid-ligated pentadecanuclear yttrium and dysprosium hydroxy clusters
Thielemann, D. T.; Wagner, A. T.; Lan, Y.; Ona-Burgos, P.; Fernandez, I.; Rösch, E. S.; Kölmel, D. K.; Powell, A. K.; Bräse, S.; Roesky, P. W.
2015. Chemistry - a European journal, 21, 2813–2820. doi:10.1002/chem.201405569 -
Mononuclear and tetranuclear compounds of yttrium and dysprosium ligated by a salicylic Schiff-base derivative: Synthesis, photoluminescence, and magnetism
Yadav, M.; Mereacre, V.; Lebedkin, S.; Kappes, M. M.; Powell, A. K.; Roesky, P. W.
2015. Inorganic chemistry, 54, 773–781. doi:10.1021/ic5014957 -
Size-Dependent Oxidation of Monodisperse Silicon Nanocrystals with Allylphenylsulfide Surfaces
Rinck, J.; Schray, D.; Kübel, C.; Powell, A. K.; Ozin, G. A.
2015. Small, 11, 335–340. doi:10.1002/smll.201401965 -
Through the maze: Cross-coupling pathways to a helical hexaphenyl ’Geländer’ molecule
Rickhaus, M.; Bannwart, L. M.; Unke, O.; Gsellinger, H.; Häussinger, D.; Mayor, M.
2015. European Journal of Organic Chemistry, (4), 786–801. doi:10.1002/ejoc.201403322 -
Stability of high-mass molecular libraries: the role of the oligoporphyrin core
Sezer, U.; Schmid, P.; Felix, L.; Mayor, M.; Arndt, M.
2015. Journal of mass spectrometry, 50, 235–239. doi:10.1002/jms.3526 -
Ionic-radius-driven selection of the main-group-metal cage for intermetalloid clusters [Ln@PbₓBi₁₄₋ₓ]
Ababei, R.; Massa, W.; Weinert, B.; Pollak, P.; Xie, X.; Clerac, R.; Weigend, F.; Dehnen, S.
2015. Chemistry - a European journal, 21, 386–394. doi:10.1002/chem.201404904 -
Bis(phthalocyaninato) lanthanide(lll) complexes - from molecular magnetism to spintronic devices
Lan, Y.; Klyatskaya, S.; Ruben, M.
2015. Layfield, R.A. [Hrsg.] Lanthanides and Actinides in Molecular Magnetism Weinheim : Wiley-VCH, 2015, 223–292
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C-O bond activation and subsequent decarbonylation of ester promoted by Fe(PMe₃)₄
Lu, Y.; Li, X.; Wang, L.; Sun, H.
2014. Inorganic chemistry communications, 41, 51–53. doi:10.1016/j.inoche.2013.12.026 -
Reactivity of mer-hydrido(2-mercaptobenzoyl)-tris(trimethylphosphine)cobalt(III) complex
Niu, Q.; Sun, H.; Wang, L.; Hu, Q.; Li, X.
2014. Dalton transactions, 43 (10), 4059–4066. doi:10.1039/C3DT52519H -
Nuclear magnetic resonance relaxivities: Investigations of ultrahigh-spin lanthanide clusters from 10 MHz to 1.4 GHz
Machado, J. R.; Baniodeh, A.; Powell, A. K.; Luy, B.; Krämer, S.; Guthausen, G.
2014. ChemPhysChem, 15, 3608–3613. doi:10.1002/cphc.201402318 -
Structural modification and self-assembly of nanoscale magnetite synthesised in the presence of an anionic surfactant
Malik, S.; Hewitt, I. J.; Powell, A. K.
2014. The European physical journal / Web of Conferences, 75, 05005/1–4. doi:10.1051/epjconf/20147505005 -
Accurate atomization energies from combining coupled-cluster computations with interference-corrected explicitly correlated second-order perturbation theory
Vogiatzis, K. D.; Haunschild, R.; Klopper, W.
2014. Theoretical chemistry accounts, 133 (3), Art.Nr. 1446. doi:10.1007/s00214-014-1446-0 -
Turbomole
Furche, F.; Ahlrichs, R.; Hättig, C.; Klopper, W.; Sierka, M.; Weigend, F.
2014. Wiley interdisciplinary reviews / Computational Molecular Science, 4 (2), 91–100. doi:10.1002/wcms.1162 -
Characterization of nonanuclear europium and gadolinium complexes by gas-phase luminescence spectroscopy
Greisch, J.-F.; Harding, M. E.; Schäfer, B.; Ruben, M.; Klopper, W.; Kappes, M. M.; Schooss, D.
2014. The journal of physical chemistry letters, 5 (10), 1727–1731. doi:10.1021/jz500614x -
Effect of proton substitution by alkali ions on the fluorescence emission of rhodamine B cations in the gas phase
Greisch, J.-F.; Harding, M. E.; Klopper, W.; Kappes, M. M.; Schooss, D.
2014. The journal of physical chemistry <Washington, DC> / A, 118 (21), 3787–3794. doi:10.1021/jp502833c -
Ion Mobility Spectrometry, Infrared Dissociation Spectroscopy, and ab Initio Computations toward Structural Characterization of the Deprotonated Leucine-Enkephalin Peptide Anion in the Gas Phase
Schinle, F.; Jacob, C. R.; Wolk, A. B.; Greisch, J.-F.; Vonderach, M.; Weis, P.; Hampe, O.; Johnson, M. A.; Kappes, M. M.
2014. The journal of physical chemistry <Washington, DC> / A, 118 (37), 8453–8463. doi:10.1021/jp501772d -
Thermally activated D2 emission upon decomposition of thin deuterofullerene films on Au(111)
Ulas, S.; Malik, S.; Böttcher, A.; Kappes, M. M.
2014. Journal of Physical Chemistry C, 118 (13), 6788–6798. doi:10.1021/jp411972r -
Structures of medium-sized ruthenium clusters: The octahedral motif
Waldt, E.; Ahlrichs, R.; Kappes, M. M.; Schooss, D.
2014. ChemPhysChem, 15 (5), 862–865. doi:10.1002/cphc.201400011 -
Cu(II)- and Mn(III)-porphyrin-derived oligomeric multianions: Structures and photoelectron spectra
Schwarz, U.; Vonderach, M.; Armbruster, M. K.; Fink, K.; Kappes, M. M.; Weis, P.
2014. The journal of physical chemistry <Washington, DC> / A, 118 (2), 369–379. doi:10.1021/jp411149e -
Conformer-selective photoelectron spectroscopy of α-lactalbumin derived multianions in the gas phase
Vonderach, M.; Winghart, M.-O.; MacAleese, L.; Chirot, F.; Antoine, R.; Dugourd, P.; Weis, P.; Hampe, O.; Kappes, M. M.
2014. Physical chemistry, chemical physics, 16 (7), 3007–3013. doi:10.1039/c3cp54596b -
Substitutional Photoluminescence Modulation in Adducts of an Europium Chelate with a Range of Alkali Metal Cations: a Gas-Phase Study
Greisch, J.-F.; Harding, M. E.; Schäfer, B.; Rotter, M.; Ruben, M.; Klopper, W.; Kappes, M. M.; Schooss, D.
2014. The journal of physical chemistry <Washington, DC> / A, 118 (1), 94–102. doi:10.1021/jp4086624 -
Phosphorescence lifetime of organic light-emitting diodes fromtwo-component time-dependent density functional theory
Kühn, M.; Weigend, F.
2014. The journal of chemical physics, 141, 224302/1–17. doi:10.1063/1.4902013 -
Coupling of single, double, and triple-decker metal-phthalocyanine complexes to ferromagnetic and antiferromagnetic substrates
Lodi Rizzini, A.; Krull, C.; Mugarza, A.; Balashov, T.; Nistor, C.; Piquerel, R.; Klyatskaya, S.; Ruben, M.; Sheverdyaeva, P. M.; Moras, P.; Carbone, C.; Stamm, C.; Miedema, P. S.; Thakur, P. K.; Sessi, V.; Soares, M.; Yakhou-Harris, F.; Cezar, J. C.; Stepanow, S.; Gambardella, P.
2014. Surface science, 630, 361–374. doi:10.1016/j.susc.2014.07.008 -
SLIM: An Improved Generalized Born Implicit Membrane Model
Setzler, J.; Seith, C.; Brieg, M.; Wenzel, W.
2014. Journal of computational chemistry, 35, 2027–2039. doi:10.1002/jcc.23717 -
Polymorphism dependent light induced spin transition
Salitros, I.; Pogany, L.; Ruben, M.; Bocaad, R.; Linerte, W.
2014. Dalton transactions, 43, 16584–16587. doi:10.1039/C4DT02421D -
A heterometallic Fesup(I)sup(I)-Dysup(I)sup(I)sup(I) single-molecule magnet with a record anisotropy barrier
Liu, J. L.; Wu, J. Y.; Chen, Y. C.; Mereacre, V.; Powell, A. K.; Ungur, L.; Chibotaru, L. F.; Chen, X. M.; Tong, M. L.
2014. Angewandte Chemie / International edition, 53 (47), 12966–12970. doi:10.1002/anie.201407799 -
Bestowing structure upon the pores of a supramolecular network
Karamzadeh, B.; Eaton, T.; Cebula, I.; Torres, D. M.; Neuburger, M.; Mayor, M.; Buck, M.
2014. Chemical communications, 50, 14175–14178. doi:10.1039/C4CC05934D -
Synthesis of highly fluoroalkyl-functionalized oligoporphyrin systems
Felix, L.; Sezer, U.; Arndt, M.; Mayor, M.
2014. European Journal of Organic Chemistry, 6884–6895. doi:10.1002/ejoc.201402816 -
Correlation between size of CoFe₂O₄ nanoparticles determined from experimental and calculated data by different mathematical models
Cozma, D. G.; Gherca, D.; Mihalcea, I.; Virlan, C.; Cornei, N.; Pui, A.
2014. Current Nanoscience, 10, 869–876. doi:10.2174/1573413710666140809010251 -
Controlled assembly and single electron charging of monolayer protected Au₁₄₄ clusters: an electrochemistry and scanning tunneling spectroscopy study
Bodappa, N.; Fluch, U.; Fu, Y.; Mayor, M.; Moreno-Garcia, P.; Siegenthalera, H.; Wandlowski, T.
2014. Nanoscale, 6, 15117–15126. doi:10.1039/C4NR03793F -
A surface coordination network based on copper adatom trimers
Bebensee, F.; Svane, K.; Bombis, C.; Masini, F.; Klyatskaya, S.; Besenbacher, F.; Ruben, M.; Hammer, B.; Linderoth, T. R.
2014. Angewandte Chemie / International edition, 53, 12955–12959. doi:10.1002/anie.201406528 -
Inducing axial chirality in a ’Geländer’ oligomer by length mismatch of the oligomer strands
Rickhaus, M.; Bannwart, L. M.; Neuburger, M.; Gsellinger, H.; Zimmermann, K.; Häussinger, D.; Mayor, M.
2014. Angewandte Chemie / International edition, 53, 14587–14591. doi:10.1002/anie.201408424 -
Bi- and tetrametallic complexes of the noble metals with PNP-ligands
Sarcher, C.; Lebedkin, S.; Kappes, M. M.; Fuhr, O.; Roesky, P. W.
2014. Journal of Organometallic Chemistry, 751, 343–350. doi:10.1016/j.jorganchem.2013.05.016 -
Unraveling the influence of lanthanide ions on intra- and inter-molecular electronic processes in Fe₁₀Ln₁₀ nano-toruses
Baniodeh, A.; Liang, Y.; Anson, C. E.; Magnani, N.; Powell, A. K.; Unterreiner, A. N.; Seyfferle, S.; Slota, M.; Dressel, M.; Bogani, L.; Goß, K.
2014. Advanced functional materials, 24, 6280–6290. doi:10.1002/adfm.201400336 -
Extending DFT-based genetic algorithms by atom-to-place re-assignment via perturbation theory: A systematic and unbiased approach to structures of mixed-metallic clusters
Weigend, F.
2014. The journal of chemical physics, 141, 134103/1–6. doi:10.1063/1.4896658 -
Chromeno[2,3-c]pyrroles by one-pot multicomponent domino addition-amination reaction
Terzidis, M. A.; Tsiaras, V. G.; Drosos, N. M.; Kasapidou, P. M.; Stephanidou-Stephanatou, J.; Tsoleridis, C. A.; Buth, G.; Kostakis, G. E.
2014. Tetrahedron letters, 55, 5601–5604. doi:10.1016/j.tetlet.2014.08.048 -
Cloning, functional characterization, and remodeling of K₂sub(P)3.1 (TASK-1) potassium channels in a porcine model of atrial fibrillation and heart failure
Schmidt, C.; Wiedmann, F.; Langer, C.; Tristram, F.; Anand, P.; Wenzel, W.; Lugenbiel, P.; Schweizer, P. A.; Katus, H. A.; Thomas, D.
2014. Heart rhythm, 11, 1798–1805. doi:10.1016/j.hrthm.2014.06.020 -
Enhancement of spin relaxation in an FeDy₂Fe coordination cluster by magnetic fields
Peng, G.; Mereacre, V.; Kostakis, G. E.; Wolny, J. A.; Schünemann, V.; Powell, A. K.
2014. Chemistry - A European Journal, 20 (39), 12381–12384. doi:10.1002/chem.201403792 -
Coordination cluster analogues of the high-spin [Mn₁₉] system with functionalized 2,6-bis(hydroxymethyl)phenol ligands
Mameri, S.; Ako, A. M.; Yesil, F.; Hibert, M.; Lan, Y.; Anson, C. E.; Powell, A. K.
2014. European journal of inorganic chemistry, 2014 (26), 4326–4334. doi:10.1002/ejic.201402327 -
Electrochemical control of a non-covalent binding between ferrocene and beta-cyclodextrin
Kolivoska, V.; Mohos, M.; Pebelov, I. V.; Rohrbach, S.; Yoshida, K.; Hong, W. J.; Fu, Y. C.; Moreno-Garcia, P.; Meszaros, G.; Broekmann, P.; Hromadova, M.; Sokolova, R.; Valasek, M.; Wandlowski, T.
2014. Chemical communications, 50, 11757–11759. doi:10.1039/C4CC04102J -
Superatomic orbitals under spin-orbit coupling
De-en, J.; Kühn, M.; Tang, Q.; Weigend, F.
2014. The journal of physical chemistry letters, 5, 3286–3289. doi:10.1021/jz501745z -
Dynamic control of plasmon generation by an individual quantum system
Große, C.; Kabakchiev, A.; Lutz, T.; Froidevaux, R.; Schramm, F.; Ruben, M.; Etzkorn, M.; Schlickum, U.; Kuhnke, K.; Kern, K.
2014. Nano letters, 14, 5693–5697. doi:10.1021/nl502413k -
Reactions of silver thiolates with bidentate phosphanes
Yang, X.; Issac, I.; Persau, C.; Ahlrichs, R.; Fuhr, O.; Fenske, D.
2014. Inorganica chimica acta, 421 (September), 233–245. doi:10.1016/j.ica.2014.05.037 -
Red-luminescent biphosphine stabilized ’Cu₁₂S₆’ cluster molecules
Yang, X. X.; Issac, I.; Lebedkin, S.; Kühn, M.; Weigend, F.; Fenske, D.; Fuhr, O.; Eichhöfer, A.
2014. Chemical communications, 50, 11043–11045. doi:10.1039/C4CC04702H -
Synthesis of molecular tripods based on a rigid 9,9’-spirobifluorene scaffold
Valasek, M.; Edelmann, K.; Gerhard, L.; Fuhr, O.; Lukas, M.; Mayor, M.
2014. The journal of organic chemistry, 79, 7342–7357. doi:10.1021/jo501029t -
Coupled nanomechanical motions: Metal-ion-effected, pH-modulated, simultaneous extension/contraction motions of double-domain helical/linear molecular strands
Stadler, A. M.; Lehn, J. M. P.
2014. Journal of the American Chemical Society, 136, 3400–3409. doi:10.1021/ja408752m -
Cardiac expression and atrial fibrillation-associated remodeling of K₂sub(P)2.1 (TREK-1) K⁺ channels in a porcine model
Schmidt, C.; Wiedmann, F.; Tristram, F.; Anand, P.; Wenzel, W.; Lugenbiel, P.; Schweizer, P. A.; Katus, H. A.; Thomas, D.
2014. Life Sciences, 97, 107–115. doi:10.1016/j.lfs.2013.12.006 -
Znsup(I)sup(I)/pyridyloxime complexes as potential reactivators of OP-inhibited acetylcholinesterase: in vitro and docking simulation studies
Konidaris, K. F.; Dalkas, G. A.; Katsoulakou, E.; Pairas, G.; Raptopoulou, C. P.; Lamari, F. N.; Spyroulias, G. A.; Manessi-Zoupa, E.
2014. Journal of Inorganic Biochemistry, 134, 12–19. doi:10.1016/j.jinorgbio.2013.12.011 -
How counterions affect the solution structure of polyoxoaurates: insights from UV/Vis spectral simulations and electrospray mass spectrometry
Kondinski, A.; Vankova, N.; Schinle, F.; Jäger, P.; Hampe, O.; Kortz, U.; Heine, T.
2014. European Journal of Inorganic Chemistry, (23), 3771–3778. doi:10.1002/ejic.201402494 -
X-ray crystallographic analysis of a tailor-made bis(phthalocyaninato)-Tb
Klyatskaya, S.; Eichhöfer, A.; Wernsdorfer, W.
2014. European journal of inorganic chemistry, 2014 (25), 4179–4185. doi:10.1002/ejic.201402421 -
Self-assembly of a highly organized, hexameric supramolecular architecture: Formation, structure and properties
Schaeffer, G.; Fuhr, O.; Fenske, D.; Lehn, J. M.
2014. Chemistry - a European journal, 20 (1), 179–186. doi:10.1002/chem.201303186 -
Hysteretic behaviour in a vacuum deposited submonolayer of single ion magnets
Klar, D.; Candini, A.; Joly, L.; Klyatskaya, S.; Krumme, B.; Ohresser, P.; Kappler, J. P.; Ruben, M.; Wende, H.
2014. Dalton transactions, 43, 10686–10689. doi:10.1039/C4DT01005A -
Single-molecule magnetism in a pentacoordinate Cobalt(II) complex supported by an antenna ligand
Rajnak, C.; Titis, J.; Fuhr, O.; Ruben, M.; Boca, R.
2014. Inorganic chemistry, 53, 8200–8202. doi:10.1021/ic501524a -
The mixed gold-palladium polyoxo-noble-metalate [NaAusup(I)sup(I)sup(I)₄Pdsup(I)sup(I)₈O₈(AsO₄)₈]¹¹⁻
Izarova, N. V.; Kondinski, A.; Vankova, N.; Heine, T.; Jäger, P.; Schinle, F.; Hampe, O.; Kortz, U.
2014. Chemistry - a European journal, 20, 8556–8560. doi:10.1002/chem.201403032 -
A novel example of double 6-exo-trig heterocyclization: Nitrile conversion to new anticancer active (HeLa cells) primary amine ionic liquids
Prodius, D.; Sha, H. S.; Iqbal, J.; Macaeva, A.; Dimoglo, A.; Kostakis, G. E.; Zill, N.; Macaev, F.; Powell, A. K.
2014. Chemical communications, 50, 4888–4890. doi:10.1039/C3CC49759C -
Dipolar ordering in a molecular nanomagnet detected using muon spin relaxation
Pratt, F. L.; Micotti, E.; Carretta, P.; Lascialfari, A.; Arosio, P.; Lancaster, T.; Blundell, S. J.; Powell, A. K.
2014. Physical review / B, 89, 144420/1–7. doi:10.1103/PhysRevB.89.144420 -
Multinuclear cobalt(II) containing heteropolytungstates: Structure, magnetism, and electrochemistry
Ibrahim, M.; Haider, A.; Lan, Y.; Bassil, B. S.; Carey, A. M.; Liu, R.; Zhang, G.; Keita, B.; Li, W.; Kostakis, G. E.; Powell, A. K.; Kortz, U.
2014. Inorganic chemistry, 53, 5179–5188. doi:10.1021/ic500298u -
Synthesis, characterization and optical properties of a series of binuclear copper chalcogenolato complexes
Hu, B.; Su, C. Y.; Fenske, D.; Fuhr, O.
2014. Inorganica chimica acta, 419 (August), 118–123. doi:10.1016/j.ica.2014.05.009 -
A Uranium-Based UO₂⁺-Mn²⁺ single-chain magnet assembled through cation-cation interactions
Mougel, V.; Chatelain, L.; Hermle, J.; Caciuffo, R.; Colineau, E.; Tuna, F.; Magnani, N.; Geyer, A. de; Pecaut, J.; Mazzanti, M.
2014. Angewandte Chemie / International edition, 53, 819–823. doi:10.1002/anie.201307366 -
Spontaneous resolution in homochiral helical [Ln(nic)₂(Hnic)(NO₃)] coordination polymers constructed from a rigid non-chiral organic ligand
Mihalcea, I.; Zill, N.; Mereacre, V.; Anson, C. E.; Powell, A. K.
2014. Crystal growth & design, 19, 4729–4734. doi:10.1021/cg500827u -
Self-assembly of a neutral platinum(II) complex into highly emitting microcrystalline fibers through metallophilic interactions
Mauro, M.; Aliprandi, A.; Cebrian, C.; Wang, D.; Kübel, C.; Cola, L. de
2014. Chemical communications, 50, 7269–7272. doi:10.1039/C4CC01045K -
Energy transfer in aggregates of bacteriochlorophyll c self-assembled with azulene derivatives
Matenova, M.; Horhoiu, V. L.; Dang, F. X.; Pospisil, P.; Alster, J.; Burda, J. V.; Balaban, S. T.; Psencik, J.
2014. Physical chemistry, chemical physics, 16, 16755–16764. doi:10.1039/C4CP01311E -
Light-induced reversible modification of the work function of a new perfluorinated biphenyl azobenzene chemisorbed on Au (111)
Masillamani, A. M.; Osella, S.; Liscio, A.; Fenwick, O.; Reinders, F.; Palermo, V.; Cornil, J.; Mayor, M.; Samori, P.
2014. Nanoscale, 6, 8969–8977. doi:10.1039/C4NR01880J -
Reduction of rhenates(VII) with hydrogen chloride in alcohols: The structural aspects of the trans-tetrachloridomethoxidooxidorhenate(VI) products
Holynska, M.; Dehnen, S.; Weigend, F.; Lis, T.
2014. Inorganica chimica acta, 411, 26–29. doi:10.1016/j.ica.2013.11.010 -
An NCN-pincer ligand dysprosium single-ion magnet showing magnetic relaxation via the second excited state
Guo, Y.-N.; Ungur, L.; Granroth, G. E.; Powell, A. K.; Wu, C.; Nagler, S. E.; Tang, J.; Chibotaru, L. F.; Cui, D.
2014. Scientific Reports, 4, 5471. doi:10.1038/srep05471 -
Ab initio treatment of disorder effects in amorphous organic materials: toward parameter free materials simulation
Friederich, P.; Symalla, F.; Meded, V.; Neumann, T.; Wenzel, W.
2014. Journal of chemical theory and computation, 10, 3720–3725. doi:10.1021/ct500418f -
Mechanically strong, fluorescent hydrogels from zwitterionic, fully π-conjugated polymers
Elmalem, E.; Biedermann, F.; Scherer, M. R. J.; Koutsioubas, A.; Toprakcioglu, C.; Biffi, G.; Huck, W. T. S.
2014. Chemical communications, 50, 8930–8933. doi:10.1039/C4CC03167A -
Slow magnetic relaxation in trigonal-planar mononuclear Fe(II) and Co(II) bis(trimethylsilyl)amido complexes. A comparative study
Eichhöfer, A.; Lan, Y.; Mereacre, V.; Bodenstein, T.; Weigend, F.
2014. Inorganic chemistry, 53, 1962–1974. doi:10.1021/ic401677j -
Trinuclear early/late-transition-metal thiolate
Eichhöfer, A.; Andrushko, V.; Bodenstein, T.; Fink, K.
2014. European Journal of Inorganic Chemistry, 3510–3520. doi:10.1002/ejic.201402069 -
Diastereoselective one-pot synthesis of novel ABCD-fused chromeno [2,3-d]pyrazolo[3,4-b]pyridines
Dimitriadou, E.; Stephanidou-Stephanatou, J.; Tsoleridis, C. A.; Hadjipavlou-Litina, D. J.; Kontogiorgis, C.; Kostakis, G. E.
2014. Tetrahedron, 70, 2938–2943. doi:10.1016/j.tet.2014.03.031 -
Synthesis of extended graphdiyne wires by vicinal surface templating
Cirera, B.; Zhang, Y. Q.; Björk, J.; Klyatskaya, S.; Chen, Z.; Ruben, M.; Barth, J. V.; Klappenberger, F.
2014. Nano letters, 14, 1891–1897. doi:10.1021/nl4046747 -
Convergent and divergent two-dimensional coordination networks formed through substrate-activated or quenched akynyl ligation
Cechal, J.; Kley, C. S.; Kumagai, T.; Schramm, F.; Ruben, M.; Stepanow, S.; Kern, K.
2014. Chemical communications, 50, 9973–9976. doi:10.1039/C4CC03723E -
Synthesis and characterization of multinuclear manganese-containing tungstosilicates
Al-Oweini, R.; Bassil, B. S.; Friedl, J.; Kottisch, V.; Ibrahim, M.; Asano, M.; Keita, B.; Novitchi, G.; Lan, Y.; Powell, A.; Stimming, U.; Kortz, U.
2014. Inorganic chemistry, 53, 5663–5673. doi:10.1021/ic500425c -
All-round robstness of the Mn₁₉ coordination cluster system: experimental validation of a theoretical prediction
Ako, A. M.; Lan, Y.; Hampe, O.; Cremades, E.; Ruiz, E.; Anson, C. E.; Powell, A. K.
2014. Chemical communications, 50, 5847–5850. doi:10.1039/C4CC01264J -
An octanuclear {Cusup(I)sup(I)₄Dysup(I)sup(I)sup(I)₄} coordination cluster showing single molecule magnet behaviour from field accessible states
Kühne, I. A.; Magnani, N.; Mereacre, V.; Wernsdorfer, W.; Anson, C. E.; Powell, A. K.
2014. Chemical communications, 50 (15), 1882–1885. doi:10.1039/c3cc46458j -
Meta-positioning f carbonitrile functional groups induces interfacial edge-on phase of oligophenyl derivatives
Marschall, M.; Reichert, J.; Diller, K.; Klyatskaya, S.; Ruben, M.; Nefedov, A.; Wöll, C.; Kantorovich, L. N.; Klappenberger, F.; Barth, J. V.
2014. The journal of physical chemistry <Washington, DC> / C, 118, 2622–2633. doi:10.1021/jp4118584 -
Dumbbells, trikes and quads: organic-inorganic hybrid nanoarchitectures based on ’clicked’ gold nanoparticles
Sander, F.; Fluch, U.; Hermes, J. P.; Mayor, M.
2014. Small, 10, 349–359. doi:10.1002/smll.201300839
2013
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Slow magnetic relaxation in four square-based pyramidal dysprosium hydroxo clusters ligated by chiral amino acid anions - a comparative study
Thielemann, D. T.; Wagner, A. T.; Lan, Y.; Anson, C. E.; Gamer, M. T.; Powell, A. K.; Roesky, P. W.
2013. Dalton transactions, 42 (41), 14794–14800. doi:10.1039/c3dt50133g -
Slow magnetic relaxation in tris(diphosphanylamido) and tetra(phosphanoamido) dysprosium complexes
Völcker, F.; Lan, Y.; Powell, A. K.; Roesky, P. W.
2013. Dalton transactions, 42 (32), 11471–11475. doi:10.1039/c3dt51078f -
Trinuclear nickel-lanthanide compounds
Bhunia, A.; Yadav, M.; Lan, Y.; Powell, A. K.; Menges, F.; Riehn, C.; Niedner-Schatteburg, G.; Jana, P. P.; Riedel, R.; Harms, K.; Dehnen, S.; Roesky, P. W.
2013. Dalton transactions, 42 (7), 2445–2450. doi:10.1039/c2dt31023f -
Binding of O₂ and CO to metal porphyrin anions in the gas phase
Karpuschkin, T.; Kappes, M. M.; Hampe, O.
2013. Angewandte Chemie - International Edition, 52 (39), 10374–10377. doi:10.1002/anie.201303200 -
Fermi energy shift in deposited metallic nanotubes: A Raman scattering study
Hatting, B.; Heeg, S.; Ataka, K.; Heberle, J.; Hennrich, F.; Kappes, M. M.; Krupke, R.; Reich, S.
2013. Physical Review B - Condensed Matter and Materials Physics, 87 (16), 165442/1–5. doi:10.1103/PhysRevB.87.165442 -
On the structures of 55-atom transition-metal clusters and their relationship to the crystalline bulk
Rapps, T.; Ahlrichs, R.; Waldt, E.; Kappes, M. M.; Schooss, D.
2013. Angewandte Chemie - International Edition, 52 (23), 6102–6105. doi:10.1002/anie.201302165 -
Novel micro-Raman setup with tunable laser excitation for time-efficient resonance Raman microscopy and imaging
Stürzl, N.; Lebedkin, S.; Klumpp, S.; Hennrich, F.; Kappes, M. M.
2013. Analytical Chemistry, 85 (9), 4554–4559. doi:10.1021/ac4001833 -
Spectroscopic and theoretical investigations of adenosine 5′-diphosphate and adenosine 5′-triphosphate dianions in the gas phase
Schinle, F.; Crider, P. E.; Vonderach, M.; Weis, P.; Hampe, O.; Kappes, M. M.
2013. Physical chemistry, chemical physics, 15 (18), 6640–6650. doi:10.1039/c2cp43808a -
Plasmons in molecules
Bernadotte, S.; Evers, F.; Jacob, C. R.
2013. Journal of Physical Chemistry C, 117 (4), 1863–1878. doi:10.1021/jp3113073 -
Benchmarking the lithium-thiophene complex
Harding, M. E.; Klopper, W.
2013. ChemPhysChem, 14 (4), 708–715. doi:10.1002/cphc.201200834 -
Intrinsic fluorescence properties of rhodamine cations in gas-phase: Triplet lifetimes and dispersed fluorescence spectra
Greisch, J.-F.; Harding, M. E.; Kordel, M.; Klopper, W.; Kappes, M. .. M.; Schooss, D.
2013. Physical chemistry, chemical physics, 15 (21), 8162–8170. doi:10.1039/c3cp44362k -
A composite density fitting + numerical integration approximation for electron-repulsion integrals
Yachmenev, A.; Klopper, W.
2013. Molecular physics, 111 (9-11), 1129–1142. doi:10.1080/00268976.2013.800265 -
Systematic construction of complementary auxiliary basis sets from and for atomic natural orbitals
Harding, M. E.; Klopper, W.
2013. Molecular physics, 111 (16-17), 2585–2593. doi:10.1080/00268976.2013.829926 -
Catalytic subsurface etching of nanoscale channels in graphite
Lukas, M.; Meded, V.; Vijayaraghavan, A.; Song, L.; Ajayan, P. M.; Fink, K.; Wenzel, W.; Krupke, R.
2013. Nature Communications, 4, 1379. doi:10.1038/ncomms2399 -
Switching of a coupled spin pair in a single-molecule junction
Wagner, S.; Kisslinger, F.; Ballmann, S.; Schramm, F.; Chandrasekar, R.; Bodenstein, T.; Fuhr, O.; Secker, D.; Fink, K.; Ruben, M.; Weber, H. B.
2013. Nature Nanotechnology, 8 (8), 575–579. doi:10.1038/nnano.2013.133 -
A modified CAS-CI approach for an efficient calculation of magnetic exchange coupling constants
Fink, K.; Staemmler, V.
2013. Molecular Physics, 111 (16-17), 2594–2605. doi:10.1080/00268976.2013.804961 -
Ultrafast dynamics of meso-tetraphenylmetalloporphyrins: The role of dark states
Liang, Y.; Bradler, M.; Klinger, M.; Schalk, O.; Balaban, M. C.; Balaban, T. S.; Riedle, E.; Unterreiner, A.-N.
2013. ChemPlusChem, 78 (10), 1244–1251. doi:10.1002/cplu.201300143 -
Electron tunneling from electronically excited states of isolated bisdisulizole-derived trianion chromophores following UV absorption
Winghart, M.-O.; Yang, J.-P.; Kühn, M.; Unterreiner, A.-N.; Wolf, T. J. A.; Dau, P. D.; Liu, H.-T.; Huang, D.-L.; Klopper, W.; Wang, L.-S.; Kappes, M. M.
2013. Physical chemistry, chemical physics, 15 (18), 6726–6736. doi:10.1039/c3cp50497b -
An efficient implementation of two-component relativistic exact-decoupling methods for large molecules
Peng, D.; Middendorf, N.; Weigend, F.; Reiher, M.
2013. Journal of Chemical Physics, 138 (18), 184105/1–14. doi:10.1063/1.4803693 -
Efficient two-component self-consistent field procedures and gradients: implementation in TURBOMOLE and application to Au₂₀⁻
Baldes, A.; Weigend, F.
2013. Molecular physics, 111 (16-17), 2617–2624. doi:10.1080/00268976.2013.802037 -
Unusual 14-electron fragments [Pd(η
Ababei, R.; Massa, W.; Harms, K.; Xie, X.; Weigend, F.; Dehnen, S.
2013. Angewandte Chemie / International edition, 52 (51), 13544–13548. doi:10.1002/anie.201307795 -
Implementation of two-component time-dependent density functional theory in TURBOMOLE
Kühn, M.; Weigend, F.
2013. Journal of Chemical Theory and Computation, 9 (12), 5341–5348. doi:10.1021/ct400743r -
Heterobimetallic Cuprates Consisting of a Redox‐Switchable, Silicon‐Based Metalloligand : Synthesis, Structures, and Electronic Properties
Styra, S.; Gonzlez-Gallardo, S.; Armbruster, F.; Ona-Burgos, P.; Moos, E.; Vonderach, M.; Weis, P.; Hampe, O.; Grün, A.; Schmitt, Y.; Gerhards, M.; Menges, F.; Gaffga, M.; Niedner-Schatteburg, G.; Breher, F.
2013. Chemistry - a European journal, 19 (26), 8436–8446. doi:10.1002/chem.201300586 -
Asymptotic scattering and duality in the one-dimensional three-state quantum Potts model on a lattice
Rapp, Á.; Schmitteckert, P.; Takacs, G.; Zarand, G.
2013. New journal of physics, 15 (1), Art.Nr. 013058. doi:10.1088/1367-2630/15/1/013058 -
Ab initio simulations of scanning-tunneling-microscope images with embedding techniques and application to C₅₈-dimers on Au(111)
Wilhelm, J.; Walz, M.; Stendel, M.; Bagrets, A.; Evers, F.
2013. Physical Chemistry Chemical Physics, 15 (18), 6684–6690. doi:10.1039/c3cp44286a -
Atomically Wired Molecular Junctions : Connecting a Single Organic Molecule by Chains of Metal Atoms
Yelin, T.; Vardimon, R.; Kuritz, N.; Korytár, R.; Bagrets, A.; Evers, F.; Kronik, L.; Tal, O.
2013. Nano letters, 13 (5), 1956–1961. doi:10.1021/nl304702z -
Synthesis and catalytic activity of iron complexes with bidentate NHC ligands
Wu, J.; Dai, W.; Farnaby, J. H.; Hazari, N.; Le Roy, J. J.; Mereacre, V.; Murugesu, M.; Powell, A. K.; Takase, M. K.
2013. Dalton Transactions, 42, 7404–7413. doi:10.1039/C3DT32551B -
The manganese(III)-containing tungstophosphate [Mnsup(I)sup(I)sup(I)₃(H₂O)₅(A-α-PW₉O₃₄)₂]⁹⁻
Al-Oweini, R.; Bassil, B. S.; Palden, T.; Keita, B.; Lan, Y.; Powell, A. K.; Kortz, U.
2013. Polyhedron, 52, 461–466. doi:10.1016/j.poly.2012.08.050 -
Magnetic properties of five planar defect dicubanes of [Lnsup(I)sup(I)sup(I)₄(μ₃-OH)₂(L)₄(HL)₂].2THF (Ln = Gd, Tb, Dy, Ho and Er)
Mondal, K. C.; Kostakis, G. E.; Lan, Y.; Powell, A. K.
2013. Polyhedron, 66, 268–273. doi:10.1016/j.poly.2013.05.016 -
Duplex structure facilitated by aqua ligand in a copper(II) coordination polymer
Nath, J. K.; Ian, Y.; Powell, A. K.; Baruah, J. B.
2013. Inorganic Chemistry Communications, 28, 81–84. doi:10.1016/j.inoche.2012.11.016 -
Synthesis, crystal structure, DNA binding, antibacterial, and cytotoxic activities of two chiral copper(II) complexes
Fei, B. L.; Li, W.; Xu, W. S.; Long, J. Y.; Liu, Q. B.; Sun, W. Y.; Anson, C. E.; Powell, A. K.
2013. European Journal of Inorganic Chemistry, 2013, 5919–5927. doi:10.1002/ejic.201300685 -
Effect of ancillary ligands in hydrolysis of 1,8-naphthalic anhydride for synthesis of metallacycles of Co²⁺, Ni²⁺, and Zn²⁺
Nath, J. K.; Lan, Y.; Powell, A. K.; Baruah, J. B.
2013. Zeitschrift für Anorganische und Allgemeine Chemie, 639, 2250–2257. doi:10.1002/zaac.201300255 -
Synthesis, structure, and magnetic study of two tridecanuclear planar cobalt clusters with unique core geometries
Peng, Y.; Tian, C. B.; Lan, Y. H.; Magnani, N.; Li, Q. P.; Zhang, H. B.; Powell, A. K.; Du, S. W.
2013. European Journal of Inorganic Chemistry, 2013, 5534–5540. doi:10.1002/ejic.201300860 -
Synthesis, structure and magnetic properties of hexanuclear Cosup(I)sup(I)sup(I)-Lnsup(I)sup(I)sup(I) clusters
Feuersenger, J.; Prodius, D.; Mereacre, V.; Clerac, R.; Anson, C. E.; Powell, A. K.
2013. Polyhedron, 66, 257–263. doi:10.1016/j.poly.2013.05.010 -
Rolling up the sheet: Constructing metal-organic lamellae and nanotubes from a [{Mn₃(propanediolato)₂}(dicyanamide)₂]sub(n) honeycomb skeleton
Wu, G.; Bai, J.; Jiang, Y.; Li, G.; Huang, J.; Li, Y.; Anson, C. E.; Powell, A. K.; Qiu, S.
2013. Journal of the American Chemical Society, 135, 18276–18279. doi:10.1021/ja409569q -
Synthesis, crystal structure and magnetic studies of tetranuclear hydroxo and ligand bridged [Co₄(μ₃-OH)₂(μ₂-dea)₂(L-L)₄]4Cl.8H₂O [L-L = 2,2’-bipyridine or 1,10-phenanthroline] complexes with mixed valence defect dicubane core
Siddiqi, Z. A.; Siddique, A.; Shahid, M.; Khalid, M.; Sharma, P. K.; Ahmad, M.; Kumar, S.; Lan, Y.; Powell, A. K.
2013. Dalton Transactions, 42, 9513–9522. doi:10.1039/C3DT50854D -
Temperature and magnetic field dependence of a Kondo system in the weak coupling regime
Zhang, Y. H.; Kahle, S.; Herden, T.; Stroh, C.; Mayor, M.; Schlickum, U.; Ternes, M.; Wahl, P.; Kern, K.
2013. Nature Communications, 4, 2110/1–6. doi:10.1038/ncomms3110 -
Azodicarboxylates: Valuable reagents for the multicomponent synthesis of novel 1,3,4-thiadiazoles and imidazo[2,1-b][1,3,4]thiadiazoles
Zarganes-Tzitzikas, T.; Neochoritis, C. G.; Stephanidou-Stephanatou, J.; Tsoleridis, C. A.; Buth, G.; Kostakis, G. E.
2013. Tetrahedron, 69, 5008–5015. doi:10.1016/j.tet.2013.03.096 -
Direct observation of the role of lanthanides in stabilizing a ferromagnetic spin orientation in a weak Fesup(I)sup(I)sup(I)-Fesup(I)sup(I)sup(I) antiferromagnet
Xiang, H.; Mereacre, V.; Lan, Y.; Lu, T. B.; Anson, C. E.; Powell, A. K.
2013. Chemical Communications, 49, 7385–7387. doi:10.1039/C3CC42416B -
Sol immobilization technique: A delicate balance between activity, selectivity and stability of gold catalysts
Villa, A.; Wang, D.; Veith, G. M.; Vindigni, F.; Prati, L.
2013. Catalysis Science & Technology, 3, 3036–3041. doi:10.1039/C3CY00260H -
Landau-Zener tunneling of a single Tb³⁺ magnetic moment allowing the electronic read-out of a nuclear spin
Urdampilleta, M.; Klyatskaya, S.; Ruben, M.; Wernsdorfer, W.
2013. Physical review / B, 87 (19), Art. Nr.: 195412. doi:10.1103/PhysRevB.87.195412 -
The bromine nuclear quadrupole moment revisited
Stopkowicz, S.; Cheng, L.; Harding, M. E.; Puzzarini, C.; Gauss, J.
2013. Molecular Physics, 111, 1382–1389. doi:10.1080/00268976.2013.796072 -
Large shape-persistent metal-invertible 15-Nsp²-donor-atom macrocycles functioning as trinucleating ligands
Stadler, A. M.; Jiang, J. J.; Wang, H. P.; Bailly, C.
2013. Chemical Communications, 49, 3784–3786. doi:10.1039/C2CC37260F -
Places and chemistry: Mulhouse. Chemists in Werner’s birth city up to the 1st half of the 20th century
Stadler, A. M.; Harrowfield, J.; Ramirez, J.
2013. Polyhedron, 52, 1465–1470. doi:10.1016/j.poly.2013.01.022 -
Grid-double-helicate interconversion
Stadler, A. M.; Burg, C.; Ramirez, J.; Lehn, J. M.
2013. Chemical Communications, 49, 5733–5735. doi:10.1039/C3CC38580A -
Modulation of the selectivity of Schiff base formation in mixtures of Two NH₂ compounds and one aldehyde or of two aldehydes and one amine
Stadler, A. M.
2013. Israel Journal of Chemistry, 53, 113–121. doi:10.1002/ijch.201300003 -
Tetradecanuclear lanthanide-vanadium ’nanochocolates’: Catalytically-active cationic heteropolyoxovanadium clusters
Simunekova, M.; Prodius, D.; Mereacre, V.; Schwendt, P.; Turta, C.; Bettinelli, M.; Speghini, A.; Lan, Y.; Anson, C. E.; Powell, A. K.
2013. RSC Advances, 3, 6299–6304. doi:10.1039/C3RA40385H -
A self-assembled Cu(II)4 [2x2] grid with organic radicals
Shuvaev, K. V.; Sproules, S.; Rautiainen, J. M.; McInnes, E. J. L.; Collision, D.; Anson, C. E.; Powell, A. K.
2013. Dalton Transactions, 42, 2371–2381. doi:10.1039/C2DT31946B -
Anti-PSMA antibody-coupled gold nanorods detection by optical and electron microscopies
Schol, D.; Fleron, M.; Greisch, J. F.; Jaeger, M.; Frenz, M.; Pauw, E. de; Pauw-Gillet, M. C. de
2013. Micron, 50, 68–74. doi:10.1016/j.micron.2013.05.003 -
Exact time-dependent density functional theory for impurity models
Schmitteckert, P.; Dzierzawac, M.; Schwab, P.
2013. Physical Chemistry Chemical Physics, 15, 5477–5481. doi:10.1039/C3CP44639E -
Unprecedented chemical transformation: crystallographic evidence for 1,1,2,2-tetrahydroxyethane captured within an Fe₆Dy₃ single molecule magnet
Schmidt, S.; Prodius, D.; Mereacre, V.; Kostakis, G. E.; Powell, A. K.
2013. Chemical Communications, 49, 1696–1698. doi:10.1039/C2CC38006D -
Single-photon ionization of organic molecules beyond 10 kDa
Schmid, P.; Stöhr, F.; Arndt, M.; Tüxen, J.; Mayor, M.
2013. Journal of The American Society for Mass Spectrometry, 24, 602–608. doi:10.1007/s13361-012-0551-3 -
Room temperature switching of a neutral molecular iron(II) complex
Schäfer, B.; Rajnak, C.; Salitros, I.; Fuhr, O.; Klar, D.; Schmitz-Antoniak, C.; Weschke, E.; Wende, H.; Ruben, M.
2013. Chemical Communications, 49, 10986–10988. doi:10.1039/C3CC46624H -
Thermal and photoinduced spin crossover in a mononuclear iron(II) complex with a bis(pyrazolyl)pyridine type of ligand
Salitros, I.; Fuhr, O.; Kruk, R.; Pavlik, J.; Pogany, L.; Schäfer, B.; Tatarko, M.; Boca, R.; Linert, W.; Ruben, M.
2013. European Journal of Inorganic Chemistry, 2013, 1049–1057. doi:10.1002/ejic.201201123 -
Entanglement in quantum impurity problems is nonperturbative
Saleur, H.; Schmitteckert, P.; Vasseur, R.
2013. Physical Review B, 88, 085413/1–14. doi:10.1103/PhysRevB.88.085413 -
Molecular daisy chains
Rotzler, J.; Mayor, M.
2013. Chemical Society Reviews, 42, 44–62. doi:10.1039/C2CS35217F -
Competing interactions in surface reticulation with a prochiral dicarbonitrile linker
Reichert, J.; Marschall, M.; Seufert, K.; Ecija, D.; Auwärter, W.; Arras, E.; Klyatskaya, S.; Ruben, M.; Barth, J. V.
2013. Journal of Physical Chemistry C, 117, 12858–12863. doi:10.1021/jp4021273 -
Catalytic ’triangles’: Binding of iron in task-specific ionic liquids
Prodius, D.; Macaev, F.; Stingaci, E.; Pogrebnoi, V.; Mereacre, V.; Novitchi, G.; Kostakis, G. E.; Anson, C. E.; Powell, A. K.
2013. Chemical Communications, 49, 1915–1917. doi:10.1039/C2CC36741F -
Evidence of slow relaxation of magnetization in dysprosium-based ionic liquids
Prodius, D.; Macaev, F.; Lan, Y.; Novitchi, G.; Pogrebnoi, S.; Stingaci, E.; Mereacre, V.; Anson, C. E.; Powell, A. K.
2013. Chemical Communications, 49, 9215–9217. doi:10.1039/C3CC45554H -
Modeling disordered morphologies in organic semiconductors
Neumann, T.; Danilov, D.; Lennartz, C.; Wenzel, W.
2013. Journal of Computational Chemistry, 34, 2716–2725. doi:10.1002/jcc.23445 -
New phosphorus-containing quinone derivatives II: Tri- and tetraphosphorylated quinone derivatives
Müller, P.; Fuhr, O.; Döring, M.
2013. Heteroatom chemistry, 24, 252–262. doi:10.1002/hc.21089 -
Mesoscopic behavior of the transmission phase through confined correlated electronic systems
Molina, R. A.; Schmitteckert, P.; Weinmann, D.; Jalabert, R. A.; Jacquod, P.
2013. Physical Review B, 88, 045419/1–16. doi:10.1103/PhysRevB.88.045419 -
Ultrahigh magnetoresistance at room temperature in molecular wires
Mahato, R. N.; Lülf, H.; Siekman, M. H.; Kersten, S. P.; Bobbert, P. A.; Jong, M. P. de; Cola, L. de; Weil, W. G. van der
2013. Science, 341, 257–260. doi:10.1126/science.1237242 -
Molecular orbital gates for plasmon excitation
Lutz, T.; Große, C.; Dette, C.; Kabakchiev, A.; Schramm, F.; Ruben, M.; Gutzler, R.; Kuhnke, K.; Schlickum, U.; Kern, K.
2013. Nano Letters, 13, 2846–2850. doi:10.1021/nl401177b -
Magnetic properties of a family of quinternary oxalates
Lhotel, E.; Simonet, V.; Ortloff, J.; Canals, B.; Paulsen, C.; Suard, E.; Hansen, T.; Price, D. J.; Wood, P. T.; Powell, A. K.; Ballou, R.
2013. European Physical Journal B, 86, 248. doi:10.1140/epjb/e2013-30668-4 -
Synthesis of composite coatings using rapid laser sintering of metallic powder mixtures
Krivilyov, M. D.; Kharanzhevskii, E. V.; Lebedev, V. G.; Danilov, D. A.; Danilova, E. V.; Galenko, P. K.
2013. Physics of Metals and Metallography, 114, 799–820. doi:10.1134/S0031918X13080073 -
High-resolution spectroscopy of C₃ around 3 μm
Krieg, J.; Lutter, V.; Endres, C. P.; Keppeler, I. H.; Jensen, P.; Harding, M. E.; Vazquez, J.; Schlemmer, S.; Giesen, T. F.; Thorwirth, S.
2013. Journal of Physical Chemistry A, 117, 3332–3339. doi:10.1021/jp3119204 -
Steering on-surface self-assembly of high-quality hydrocarbon networks with terminal alkynes
Kepcija, N.; Zhang, Y. Q.; Kleinschrodt, M.; Björk, J.; Klyatskaya, S.; Klappenberger, F.; Ruben, M.; Barth, J. V.
2013. Journal of Physical Chemistry C, 117, 3987–3995. doi:10.1021/jp310606r -
Synthesis, magnetism, and electrochemistry of the Ni₁₄- and Ni₅-containing heteropolytungstates [Ni₁₄(OH)₆(H₂O)₁₀(HPO₄)₄(P₂W₁₅O₅₆)₄]³⁴⁻ and [Ni₅(OH)₄(H₂O)₄(β-GeW₉O₃₄)(β-GeW₈O₃sub(O)(OH))]¹³⁻
Ibrahim, M.; Xiang, Y.; Bassil, B. S.; Lan, Y.; Powell, A. K.; Oliveira, P. de; Keita, B.; Kortz, U.
2013. Inorganic Chemistry, 52, 8399–8408. doi:10.1021/ic400943j -
Systemchemie an Grenzflächen
Heinke, L.; Gliemann, H.; Wöll, C.
2013. Nachrichten aus der Chemie, 61, 116–120. doi:10.1002/nadc.201390039 -
4,4’’-disubstituted terpyridines and their homoleptic Fesup(I)sup(I)complexes
Harzmann, G. D.; Neuburger, M.; Mayor, M.
2013. European Journal of Inorganic Chemistry, 2013, 3334–3347. doi:10.1002/ejic.201300231 -
[Au₁₄(PPh₃)₈(NO₃)₄]: An example of a new class of Au(NO₃)-ligated superatom complexes
Gutrath, B. S.; Oppel, I. M.; Presly, O.; Beljakov, I.; Meded, V.; Wenzel, W.; Simon, U.
2013. Angewandte Chemie - International Edition, 52, 3529–2532. doi:10.1002/anie.201208681 -
By design: a macrocyclic 3d-4f single-molecule magnet with quantifiable zero-field slow relaxation of magnetization
Feltham, H. L. C.; Clerac, R.; Ungur, L.; Chibotaru, L. F.; Powell, A. K.; Brooker, S.
2013. Inorganic Chemistry, 52, 3236–3240. doi:10.1021/ic302735j -
Invariants of the single-impurity Anderson model and implications for conductance functionals
Evers, F.; Schmitteckert, P.
2013. EPL, 103, 47012/1–5. doi:10.1209/0295-5075/103/47012 -
Matter-wave interference of particles selected from a molecular library with masses exceeding 10 000 amu
Eibenberger, S.; Gerlich, S.; Arndt, M.; Mayor, M.; Tüxen, J.
2013. Physical Chemistry Chemical Physics, 15, 14696–14700. doi:10.1039/C3CP51500A -
Five-vertex Archimedean surface tessellation by lanthanide-directed molecular self-assembly
Ecija, D.; Urgel, J. I.; Papageorgiou, A. C.; Sushobhan, J.; Auswärter, W.; Seitsonen, A. P.; Klyatskaya, S.; Ruben, M.; Fischer, S.; Vijayaraghavana, S.; Reichert, J.; Barth, J. V.
2013. Proceedings of the National Academy of Sciences of the United States of America, 110, 6678–6681. doi:10.1073/pnas.1222713110 -
Nanopatterning by molecular self-assembly on surfaces
Eaton, T. R.; Torres, D. M.; Buck, M.; Mayor, M.
2013. Chimia, 67, 222–226. doi:10.2533/chimia.2013.222 -
Controllability of the Coulomb charging energy in close-packed nanoparticle arrays
Duan, C.; Wang, Y.; Sun, J.; Guan, C.; Grunder, S.; Mayor, M.; Penga, L.; Liao, J.
2013. Nanoscale, 5, 10258–10266. doi:10.1039/C3NR02334F -
Large work function shift of gold induced by a novel perfluorinated azobenzene-based self-assembled monolayer
Crivillers, N.; Osella, S.; Dyck, C. van; Lazzerini, G. M.; Cornil, D.; Liscio, A.; Stasio, F. di; Mian, S.; Fenwick, O.; Reinders, F.; Neuburger, M.; Treossi, E.; Mayor, M.; Palermo, V.; Cacialli, F.; Cornil, J.; Samori, P.
2013. Advanced Materials, 25, 432–436. doi:10.1002/adma.201201737 -
2D self-assembly and catalytic homo-coupling of the terminal alkyne 1,4-Bis(3,5-diethynyl-phenyl)butadiyne-1,3 on Ag(111)
Cirera, B.; Zhang, Y. Q.; Klyatskaya, S.; Ruben, M.; Klappenberger, F.; Barth, J. von
2013. ChemCatChem, 5, 3281–3288. doi:10.1002/cctc.201300299 -
Functionalization of open two-dimensional metal-organic templates through the selective incorporation of metal atoms
Cechal, J.; Kley, C. S.; Kumagai, T.; Schramm, F.; Ruben, M.; Stepanow, S.; Kern, K.
2013. Journal of Physical Chemistry C, 117, 8871–8877. doi:10.1021/jp4015977 -
Para versus meta ligand substituents as a means of directing magnetic anisotropy in Fe₂Dy₂ coordination clusters
Baniodeh, A.; Mereacre, V.; Magnani, N.; Lan, Y.; Wolny, J. A.; Schünemann, V.; Anson, C. E.; Powell, A. K.
2013. Chemical Communications, 49, 9666–9668. doi:10.1039/C3CC45695A -
Magnetic anisotropy and exchange coupling in a family of isostructural Fesup(I)sup(I)sup(I)₂Lnsup(I)sup(I)sup(I)₂ complexes
Baniodeh, A.; Lan, Y.; Novitchi, G.; Mereacre, V.; Sukhanov, A.; Ferbinteanu, M.; Voronkova, V.; Anson, C. E.; Powell, A. K.
2013. Dalton Transactions, 42, 8926–8938. doi:10.1039/C3DT00105A -
Ringing the changes in Fesup(I)sup(I)sup(I)/Ybsup(I)sup(I)sup(I) cyclic coordination clusters
Baniodeh, A.; Anson, C. E.; Powell, A. K.
2013. Chemical Science, 4, 4354–4361. doi:10.1039/C3SC52041B -
Identification of novel chromone based sulfonamides as highly potent and selective inhibitors of alkaline phosphatases
al-Rashida, M.; Raza, R.; Abbas, G.; Shah, M. S.; Kostakis, G. E.; Lecka, J.; Sevigny, J.; Muddassar, M.; Papatriantafyllopoulou, C.; Iqbal, J.
2013. European Journal of Medicinal Chemistry, 66, 438–449. doi:10.1016/j.ejmech.2013.06.015 -
Spins on a curved surface: An Fesup(I)sup(I)sup(I)₁₄ ferracalixarene
Ako, A. M.; Lan, Y.; Mereacre, V.; Ruiz, E.; Aravena, D.; Anson, C. E.; Powell, A. K.
2013. Dalton Transactions, 42, 9606–9612. doi:10.1039/C3DT50345C -
Probing Majorana modes in the tunneling spectra of a resonant level
Korytar, R.; Schmitteckert, P.
2013. Journal of Physics: Condensed Matter, 25, 475304/1–7. doi:10.1088/0953-8984/25/47/475304 -
Density functional theory with exact XC potentials: Lessons from DMRG studies and exactly solvable models
Evers, F.; Schmitteckert, P.
2013. Physica status solidi (b), 250, 2330–2341. doi:10.1002/pssb.201349901 -
Adsorption and dehydrogenation of tetrahydroybenzene on Cu(111)
Bebensee, F.; Svane, K.; Bombis, C.; Masini, F.; Klyatskaya, S.; Besenbacher, F.; Ruben, M.; Hammer, B.; Linderoth, T.
2013. Chemical Communications, 49, 9808–9310. doi:10.1039/C3CC45052J -
Antiferromagnetic coupling of TbPc₂ molecules to ultrathin Ni and Co films
Klar, D.; Klyatskaya, S.; Candini, A.; Krumme, B.; Kummer, K.; Ohresser, P.; Corradini, V.; Renzi, V. de; Biagi, R.; Joly, L.; Kappler, J. P.; Del Pennino, U.; Affronte, M.; Wende, H.; Ruben, M.
2013. Beilstein Journal of Nanotechnology, 4, 320–324. doi:10.3762/bjnano.4.36 -
Visions for a molecular future
Molen, S. J. van der; Calame, M.; Reed, M.; Namaan, R.; Scheer, E.; Neaton, J. B.; Nitzan, A.; Natelson, D.; Tao, N. J.; Zant, H. van der; Mayor, M.; Ruben, M.
2013. Nature Nanotechnology, 8, 385–389. doi:10.1038/nnano.2013.101 -
Zero-field splitting in pentacoordinate Co(II) complexes
Rajnak, C.; Titis, J.; Salitros, I.; Boca, R.; Fuhr, O.; Ruben, M.
2013. Polyhedron, 65, 122–128. doi:10.1016/j.poly.2013.08.029 -
Spin-dependent electronic structure of the Co/Al(OP)₃ interface
Müller, S.; Steil, S.; Droghetti, A.; Großmann, N.; Meded, V.; Magri, A.; Schäfer, B.; Fuhr, O.; Sanvito, S.; Ruben, M.; Cinchetti, M.; Aeschlimann, M.
2013. New Journal of Physics, 15, 113054/1–12. doi:10.1088/1367-2630/15/11/113054 -
High resolution scanning tunneling and atomic force microscopy of stereochemically resolved dibenzo[a,h]thianthrene molecules
Pavlicek, N.; Herranz-Lancho, C.; Fleury, B.; Neu, M.; Niedenführ, J.; Ruben, M.; Repp, J.
2013. Physica status solidi (b), 250, 2424–2430. doi:10.1002/pssb.201349229 -
Add a third hook: S-acetyl protected oligophenylene pyridine dithiols as advanced precursors for self-assembled monolayers
Sander, F.; Hermes, J. P.; Mayor, M.; Hamoudi, H.; Zharnikov, M.
2013. Physical Chemistry Chemical Physics, 15, 2836–2846. doi:10.1039/c2cp43564k -
Fixierung von O₂ und CO an Metallporphyrin-Anionen in der Gasphase
Karpuschkin, T.; Kappes, M. M.; Hampe, O.
2013. Angewandte Chemie, 125, 10565–10568. doi:10.1002/ange.201303200 -
Molecular daisy chains: synthesis and aggregation studies of an amphiphilic molecular rod
Rotzler, J.; Drayss, S.; Hampe, O.; Häussinger, D.; Mayor, M.
2013. Chemistry - A European Journal, 19, 2089–2101. doi:10.1002/chem.201202498 -
Structure based design of protein linkers for zinc finger nuclease
Anand, P.; Schug, A.; Wenzel, W.
2013. FEBS Letters, 587, 3231–3235. doi:10.1016/j.febslet.2013.08.015 -
Influence of the morphology of lithiated copper(I) sulfides with the formal composition ’Li₂Cu₄S₃’ on their stability in electrochemical cycling
Eichhöfer, A.; Sommer, H.; Andrushko, V.; Indris, S.; Malik, S.
2013. European Journal of Inorganic Chemistry, (9), 1531–1540. doi:10.1002/ejic.201201099 -
Tunneling spectra simulation of interacting Majorana wires
Thomale, R.; Rachel, S.; Schmitteckert, P.
2013. Physical Review B, 88, 161103/1–5. doi:10.1103/PhysRevB.88.161103 -
Adiabatic tracking of a state: A new route to nonequilibrium physics
Moliner, M.; Schmitteckert, P.
2013. Physical Review Letters, 111, 120602/1–5. doi:10.1103/PhysRevLett.111.120602 -
Spin locking at the apex of nano-scale platinum tips
Korytar, R.; Evers, F.
2013. Surface Science, 618, 49–52. doi:10.1016/j.susc.2013.09.008 -
Über die Struktur 55-atomiger Übergangsmetallcluster und deren Beziehung zur Festkörperstruktur
Rapps, T.; Ahlrichs, R.; Waldt, E.; Kappes, M. M.; Schooss, D.
2013. Angewandte Chemie, 125, 6218–6221. doi:10.1002/ange.201302165 -
Luminescence in functionalized copper thiolate clusters. Synthesis and structural effects
Langer, R.; Yadav, M.; Weinert, B.; Fenske, D.; Fuhr, O.
2013. European Journal of Inorganic Chemistry, (21), 3623–3631. doi:10.1002/ejic.201300155 -
Strongly coupled slow-light polarizations in one-dimensional disordered localized states
Gao, J.; Combrie, S.; Liang, B.; Schmitteckert, P.; Lehoucq, G.; Xavier, S.; Xu, X.; Busch, K.; Huffaker, D. L.; Rossi, A. de; Wong, C. W.
2013. Scientific Reports, 3, 1994/1–6. doi:10.1038/srep01994 -
[Cu₄₀Se₁₆(S-C₆H₄-CN)₈(dppm)₈]: A disc-like copper cluster with a nitrile-functionalizes ligand shell
Langer, R.; Fenske, D.; Fuhr, O.
2013. Zeitschrift für Naturforschung B, 68, 575–580. doi:10.5560/ZNB.2013-3078 -
PowerBorn: A Barnes-Hut tree implementation for accurate and efficient born radii computation
Brieg, M.; Wenzel, W.
2013. Journal of Chemical Theory and Computation, 9, 1489–1498. doi:10.1021/ct300870s -
The GW-Method for Quantum Chemistry Applications : Theory and Implementation
Setten, M. J. van; Weigend, F.; Evers, F.
2013. Journal of chemical theory and computation, 9 (1), 232–246. doi:10.1021/ct300648t -
Differential hERG ion channel activity of ultrasmall gold nanoparticles
Leifert, A.; Pan, Y.; Kinkeldey, A.; Schiefer, F.; Setzler, J.; Scheel, O.; Lichtenbeld, H.; Schmid, G.; Wenzel, W.; Jahnen-Dechent, W.; Simon, U.
2013. Proceedings of the National Academy of Sciences of the United States of America, 110, 8004–8009. doi:10.1073/pnas.1220143110 -
Body-wing swapping in butterfly {Fesup(I)sup(I)sup(I)₂Lnsup(I)sup(I)sup(I)₂} coordination clusters with triethylene glycol as ligand
Peng, G.; Kostakis, G. E.; Lan, Y.; Powell, A. K.
2013. Dalton Transactions, 42, 46–49. doi:10.1039/c2dt32027d -
Two pseudopolymorphs derived from alkaline earth metals and the pseudopeptidic ligand trimesoyl-tris-glycine
Dokorou, V. N.; Powell, A. K.; Kostakis, G. E.
2013. Polyhedron, 52, 538–544. doi:10.1016/j.poly.2012.08.032 -
Chalcogenide clusters of copper and silver from silylated chalcogenide sources
Fuhr, O.; Dehnen, S.; Fenske, D.
2013. Chemical Society Reviews, 42, 1871–1906. doi:10.1039/c2cs35252d -
A database of topological representations of polynuclear nickel compounds
Wix, P.; Kostakis, G. E.; Blatov, V. A.; Proserpio, D. M.; Perlepes, S. P.; Powell, A. K.
2013. European Journal of Inorganic Chemistry, 2013, 520–526. doi:10.1002/ejic.201201348 -
Atropisomerization of di-para-substituted propyl-bridged biphenyl cyclophanes
Rotzler, J.; Gsellinger, H.; Bihlmeier, A.; Gantenbein, M.; Vonlanthen, D.; Häussinger, D.; Klopper, W.; Mayor, M.
2013. Organic & biomolecular chemistry, 11 (1), 110–118. doi:10.1039/c2ob26243f -
Simulations of constant current STM images of open-shell systems
Kepenekian, M.; Robles, R.; Korytar, R.; Lorente, N.
2013. Imaging and Manipulating Molecular Orbitals : Proceedings of the 3rd AtMol International Workshop, Berlin, 24.-25. September 2012. Hrsg.: L. Grill, 117–136, Springer-Verlag. doi:10.1007/978-3-642-38809-5_10
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Simultaneous detection of Raman scattering and near-infrared photoluminescence in one imaging microscope
Stürzl, N.; Lebedkin, S.; Peng, F.; Li, Y.; Hennrich, F.; Kappes, M. M.
2012. Review of Scientific Instruments, 83 (6), 063709/1–6. doi:10.1063/1.4731684 -
Mass spectrometric characterization of a dinuclear terbium phthalocyaninato complex
Hampe, O.; Klyatskaya, S.; Karpuschkin, T.; Vonderach, M.; Weis, P.; Ruben, M.; Kappes, M. M.
2012. International Journal of Mass Spectrometry, 325-327, 183–188. doi:10.1016/j.ijms.2012.06.011 -
Resonant tunneling through the repulsive Coulomb barrier of a quadruply charged molecular anion
Dau, P. D.; Liu, H.-T.; Yang, J.-P.; Winghart, M.-O.; Wolf, T. J. A.; Unterreiner, A.-N.; Weis, P.; Miao, Y.-R.; Ning, C.-G.; Kappes, M. M.; Wang, L.-S.
2012. Physical Review / A - Atomic, Molecular, and Optical Physics, 85 (6), 064503/1–5. doi:10.1103/PhysRevA.85.064503 -
Isomer-selected photoelectron spectroscopy of isolated DNA oligonucleotides: Phosphate and nucleobase deprotonation at high negative charge states
Vonderach, M.; Ehrler, O. T.; Matheis, K.; Weis, P.; Kappes, M. M.
2012. Journal of the American Chemical Society, 134 (18), 7830–7841. doi:10.1021/ja300619j -
Desorption of C₆₀ upon thermal decomposition of cesium C₅₈ fullerides
Ulas, S.; Löffler, D.; Weis, P.; Böttcher, A.; Kappes, M. M.
2012. Journal of Chemical Physics, 136 (11), 114708/1–8. doi:10.1063/1.3694831 -
Incorporating C₂ into C₆₀ films
Ulas, S.; Strelnikov, D.; Weis, P.; Böttcher, A.; Kappes, M. M.
2012. Journal of Chemical Physics, 136 (1), 014701/1–12. doi:10.1063/1.3673887 -
Error-Balanced Segmented Contracted Basis Sets of Double-ζ to Quadruple-ζ Valence Quality for the Lanthanides
Gulde, R.; Pollak, P.; Weigend, F.
2012. Journal of chemical theory and computation, 8 (11), 4062–4068. doi:10.1021/ct300302u -
Making practical use of the pseudo-element concept: an efficient way to ternary intermetalloid clusters by an isoelectronic Pb⁻-Bi combination
Ababei, R.; Heine, J.; Holynska, M.; Thiele, G.; Weinert, B.; Xie, X.; Weigend, F.; Dehnen, S.
2012. Chemical Communications, 48 (92), 11295–11297. doi:10.1039/c2cc35318k -
Engineering hydrophobin DewA to generate surfaces that enhance adhesion of human but not bacterial cells
Boeuf, S.; Throm, T.; Strunk, T.; Hoffmann, M.; Seebach, E.; Mühlberg, L.; Gotterbarm T.; Gutt, B.; Wenzel, W.; Fischer, R.; Richter, W.; Brocher, J.
2012. Acta biomaterialia, 8 (3), 1037–1047. doi:10.1016/j.actbio.2011.11.022 -
Family of spin-
Thomale, R.; Rachel, S.; Schmitteckert, P.; Greiter, M.
2012. Physical review / B, 85 (19), Art.Nr. 195149. doi:10.1103/PhysRevB.85.195149 -
Finite-size effects and irrelevant corrections to scaling near the integer quantum hall transition
Obuse, H.; Gruzberg, I. A.; Evers, F.
2012. Physical Review Letters, 109 (20), 206804/1–5. doi:10.1103/PhysRevLett.109.206804 -
Charge susceptibility in Kondo systems at half filling: DMRG study
Schmitteckert, P.; Evers, F.
2012. Annalen der Physik, 524 (3-4), L1-L4. doi:10.1002/andp.201100298 -
Quantum size effects in the atomistic structure of armchair nanoribbons
Dasgupta, A.; Bera, S.; Evers, F.; Van Setten, M. J.
2012. Physical review / B, 85 (12), 125433/1–8. doi:10.1103/PhysRevB.85.125433 -
Memory effects in electrochemically gated metallic point contacts
Maul, R.; Xie, F.-Q.; Obermair, C.; Schön, G.; Schimmel, T.; Wenzel, W.
2012. Applied Physics Letters, 100 (20), 203511/1–5. doi:10.1063/1.4719207 -
Ab initio study of the thermopower of biphenyl-based single-molecule junctions
Bürkle, M.; Zotti, L. A.; Viljas, J. K.; Vonlanthen, D.; Mishchenko, A.; Wandlowski, T.; Mayor, M.; Schön, G.; Pauly, F.
2012. Physical review / B, 86 (11), Art.Nr. 115304/1–8. doi:10.1103/PhysRevB.86.115304 -
Conduction mechanisms in biphenyl dithiol single-molecule junctions
Bürkle, M.; Viljas, J. K.; Vonlanthen, D.; Mishchenko, A.; Schön, G.; Mayor, M.; Wandlowski, T.; Pauly, F.
2012. Physical review / B, 85 (7), Art.Nr. 076417. doi:10.1103/PhysRevB.85.075417 -
Scanning the potential energy surface for synthesis of dendrimer-wrapped gold clusters: design rules for true single-molecule nanostructures
Thompson, D.; Hermes, J. P.; Quinn, A. J.; Mayor, M.
2012. ACS Nano, 6, 3007–3017. doi:10.1021/nn204470g -
One-pot five-component synthesis of spirocyclopenta[b]chromene derivatives and their acid-catalyzed rearrangement
Terzidis, M. A.; Zarganes-Tzitzikas, T.; Tsimenidis, C.; Stephanidou-Stephanatou, J.; Tsoleridis, C. A.; Kostakis, G. E.
2012. Journal of Organic Chemistry, 77, 9018–9028. doi:10.1021/jo3014947 -
New proton donors in electrochemical mechanistic studies in non-aqueous solution dimethylsulfoxide: chlorinated hydroxybenzonitriles
Sokolova, R.; Gal, M.; Valasek, M.
2012. Journal of Electroanalytical Chemistry, 685, 33–36. doi:10.1016/j.jelechem.2012.09.002 -
Optically switchable organic field-effect transistors based on photoresponsive gold nanoparticles blended with poly(3-hexylthiophene)
Raimondo, C.; Crivillers, N.; Reinders, F.; Sander, F.; Mayor, M.; Samori, P.
2012. Proceedings of the National Academy of Sciences of the United States of America, 109, 12375–12380. doi:10.1073/pnas.1203848109 -
Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets
Novitchi, G.; Pilet, G.; Ungur, L.; Moshchalkov, V. V.; Wernsdorfer, W.; Chibotaru, L. F.; Luneau, D.; Powell, A. K.
2012. Chemical science, 3 (4), 1169–1176. doi:10.1039/C2SC00728B -
A method for topological analysis of high nuclearity coordination clusters and its application to Mn coordination compounds
Kostakis, G. E.; Blatov, V. A.; Proserpio, D. M.
2012. Dalton Transactions, 41, 4634–4640. doi:10.1039/c2dt12263d -
Real-time single-molecule imaging of quantum interference
Juffmann, T.; Milic, A.; Müllneritsch, M.; Asenbaum, P.; Tsukernik, A.; Tüxen, J.; Mayor, M.; Cheshnovsky, O.; Arndt, M.
2012. Nature Nanotechnology, 7, 297–300. doi:10.1038/nnano.2012.34 -
Synthesis and solid-state investigations of oligo-phenylene-ethynylene structures with halide end-groups
Jenny, N. M.; Wang, H.; Neuburger, M.; Fuchs, H.; Chi, L.; Mayor, M.
2012. European Journal of Organic Chemistry, 2738–2747. doi:10.1002/ejoc.201200033 -
Monofunctionalized gold nanoparticles stabilized by a single dendrimer form dumbbell structures upon homocoupling
Hermes, J. P.; Sander, F.; Fluch, U.; Peterle, T.; Thompson, D.; Urbani, R.; Pfohl, T.; Mayor, M.
2012. Journal of the American Chemical Society, 134, 14674–14677. doi:10.1021/ja306253t -
Employment of a new tripodal ligand for the synthesis of cobalt(II/III), nickel(II), and copper(ÖII) clusters: magnetic, optical, and thermal properties
Canaj, A. B.; Tzimopoulos, D. I.; Philippidis, A.; Kostakis, G. E.; Milios, C. J.
2012. Inorganic Chemistry, 51, 10461–10470. doi:10.1021/ic301744e -
Experimental evidence for quantum interference and vibrationally induced decoherence in single-molecule junctions
Ballmann, S.; Härtle, R.; Coto, P. B.; Elbing, M.; Mayor, M.; Bryce, M. R.; Thoss, M.; Weber, H. B.
2012. Physical Review Letters, 109, 056801/1–5. doi:10.1103/PhysRevLett.109.056801 -
Self-assembly of a mononuclear [Fesup(I)sup(I)sup(I)(L)(EtOH)₂] complex bearing an n-dodecyl chain on solid highly oriented pyrolytic graphite surfaces
Ako, A. M.; Alam, M. S.; Rahman, M.; Hill, J. P.; Sanchez-Ballester, N. M.; Ariga, K.; Buth, G.; Anson, C. E.; Powell, A. K.
2012. Chemistry - A European Journal, 18, 16419–16425. doi:10.1002/chem.201202858 -
Doped Semimetal Clusters: Ternary, Intermetalloid Anions [Ln@Sn
Lips, F.; Holynska, M.; Clerac, R.; Weigend. F.; Dehnen, S.
2012. Journal of the American Chemical Society, 134 (2), 1181–1191. doi:10.1021/ja209226b -
Zinc Chalcogenolate Complexes as Precursors to ZnE and Mn/ZnE (E = S, Se) Clusters
Khadka Chhatra, B.; Eichhofer, A.; Weigend, F.; Corrigan, J.
2012. Inorganic chemistry, 51 (5), 2747–2756. doi:10.1021/ic200307g -
Seminumerical calculation of the Hartree-Fock exchange matrix: application to two-component procedures and efficient evaluation of local hybrid density functionals
Plessow, P.; Weigend, F.
2012. Journal of computational chemistry, 33 (7), 810–816. doi:10.1002/jcc.22901 -
Structures of small bismuth cluster cations
Kelting, R.; Baldes, A.; Schwarz, U.; Rapps, T.; Schooss, D.; Weis, P.; Neiss, C.; Weigend, F.; Kappes, M. M.
2012. Journal of chemical physics, 136 (15), 154309. doi:10.1063/1.3703014 -
Probing the Influence of Size and Composition on the Photoelectron Spectra of Cadmium Chalcogenide Cluster Dianions
Matheis, K.; Eichhöfer, A.; Weigend, F.; Ehrler, O. T.; Hampe, O.; Kappes, M. M.
2012. Journal of physical chemistry / C, 116 (25), 13800–13809. doi:10.1021/jp303048u -
Selective Coordination Bonding in Metallo-Supramolecular Systems on Surfaces
Langner, A.; Tait, S. L.; Lin, N.; Chandrasekar, R.; Meded, V.; Fink, K.; Ruben, M.; Kern, K.
2012. Angewandte Chemie / International edition, 51 (18), 4327–4331. doi:10.1002/anie.201108530 -
Embedding method for the scattering phase in strongly correlated quantum dots
Molina, R. A.; Schmitteckert, P.; Weinmann, D.; Jalabert, R. A.; Jacquod, P.
2012. Journal of Physics: Conference Series, 338, 012011/1–10. doi:10.1088/1742-6596/338/1/012011 -
Theoretical Approach Towards the Understanding of Asymmetric Additions of Dialkylzinc to Enals and Iminals Catalysed by [2.2]Paracyclophane-Based N,O-Ligands
Kubas, A.; Bräse, S.; Fink, K.
2012. Chemistry - a European journal, 18 (27), 8377–8385. doi:10.1002/chem.201103710 -
Paracyclophanediyldiphosphane Complexes of Gold
Sarcher, C.; Luehl, A.; Falk, F. C.; Lebedkin, S.; Kühn, M.; Wang, C.; Paradies, J.; Kappes, M. M.; Klopper, W.; Roesky, P. W.
2012. European journal of inorganic chemistry, 2012 (31), 5033–5042. doi:10.1002/ejic.201200751 -
From a Dy(III) Single Molecule Magnet (SMM) to a Ferromagnetic [Mn(II)Dy(III)Mn(II)] Trinuclear Complex
Bhunia, A.; Gamer, M. T.; Ungur, L.; Chibotaru, L. F.; Powell, A. K.; Lan, Y.; Roesky, P. W.; Menges, F.; Riehn, C.; Niedner-Schatteburg, G.
2012. Inorganic Chemistry, 51 (18), 9589–9597. doi:10.1021/ic300065x -
A family of dodecanuclear Mn₁₁Ln single-molecule magnets
Mereacrea, V.; Lan, Y.; Wernsdorfer, W.; Ansona, C. E.; Powell, A. K.
2012. Comptes rendus chimie, 15 (7), 639–646. doi:10.1016/j.crci.2012.05.015 -
Adsorption of [Mn₁₉] aggregates with S = 83/2 onto HOPG surfaces
Ako, A. M.; Alam, M. S.; Mameri, S.; Lan, Y.; Hibert, M.; Stocker, M.; Müller, P.; Anson, C. E.; Powell, A. K.
2012. European Journal of Inorganic Chemistry, 2012 (26), 4131–4140. doi:10.1002/ejic.201200420 -
Synthesis, structure and magnetic properties of neutral Ni (II) tri-tert-butoxysilanethiolate cluster
Pladzyka, A.; Ponikiewskia, Ł.; Lan, Y.; Powell, A. K.
2012. Inorganic chemistry communications, 20, 66–69. doi:10.1016/j.inoche.2012.02.018 -
Systematic investigation into the influence of base and substituents on the coordination chemistry of Mn
Mukherjee, S.; Lan, Y.; Kostakis, G. E.; Clérac, R.; Ansona, C. E.; Powell, A. K.
2012. Supramolecular chemistry, 24 (8), 533–546. doi:10.1080/10610278.2012.703323 -
Ferromagnetic heteronuclear {Fe₄(Er,Lu)₂} cyclic coordination clusters based on ferric wheels
Schmidt, S.; Prodius, D.; Novitchi, G.; Mereacre, V.; Kostakis, G. E.; Powell, A. K.
2012. Chemical Communications, 48, 9825–9827. doi:10.1039/c2cc34361d -
Photophysical properties of {[Au(CN)₂]⁻}₂ dimers trapped in a supramolecular electron-acceptor organic framework
Abouelwafa, A. S.; Anson, C. E.; Hauser, A.; Patterson, H. H.; Baril-Robert, F.; Li, X.; Powell, A. K.
2012. Inorganic Chemistry, 51 (3), 1294–1301. doi:10.1021/ic201109u -
Synthesis and Spectroscopic Characterisation of a Heterodinuclear Iron(III)-Copper(II) Complex Based on an Asymmetric Dinucleating Ligand System
Heims, F.; Mereacre, V.; Ciancetta, A.; Mebs, S.; Powell, A. K.; Greco, C.; Ray, K.
2012. European Journal of Inorganic Chemistry, 2012 (29), 4565–4569. doi:10.1002/ejic.201200156 -
Synthesis, Structures, And Magnetic Behavior of New Anionic Copper(II) Sulfate Aggregates and Chains
Burrows, A. D.; Mahon, M. F.; Sebestyen, V. M.; Lan, Y.; Powell, A. K.
2012. Inorganic Chemistry, 51 (20), 10983–10989. doi:10.1021/ic301478x -
Coexistence of Distinct Single-Ion and Exchange-Based Mechanisms for Blocking of Magnetization in a CoII2DyIII2 Single-Molecule Magnet
Mondal, K. C.; Sundt, A.; Lan, Y.; Kostakis, G. E.; Waldmann, O.; Ungur, L.; Chibotaru, L. F.; Anson, C. E.; Powell, A. K.
2012. Angewandte Chemie - International Edition, 51 (30), 7550–7554. doi:10.1002/anie.201201478 -
Synthesis and Magnetic Properties of a New Family of Macrocyclic M
Feltham, H. L. C.; Clérac, R.; Ungur, L.; Vieru, V.; Chibotaru, L. F.; Powell, A. K.; Brooker, S.
2012. Inorganic chemistry, 51 (20), 10603–10612. doi:10.1021/ic300819u -
Pseudopeptidic ligands: exploring the self-assembly of isophthaloylbisglycine (H₂IBG) and divalent metal ions
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Using the flexible ligand bis(2-hydroxyethyl)amino-tris (hydroxymethyl)methane ("bis-tris") to access a family of 3d-4f Mn
Khan, A.; Lan, Y.; Kostakis, G. E.; Anson, C. E.; Powell, A. K.
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Synthesis and characterization of isostructural tetranuclear lanthanide complexes [Ln4(μ3-OH)2(ampdH4)2(piv)10]·4CH3CN (Ln = Sm, Eu, Gd, Tb, Dy, Ho, Er)
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High-nuclearity cobalt coordination clusters : Synthetic, topological and magnetic aspects
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Supramolecular assemblies involving metal-organic ring interactions : heterometallic Cu(II)-Ln(III) two-dimensional coordination polymers
Konidaris, K. F.; Morrison, C.; Servetas, J. G.; Haukka, M.; Lan, Y.; Powell, A. K.; Plakatouras, J.; Kostakis, G. E.
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Metal ion-assisted transformations of 2-pyridinealdoxime and hexafluorophosphate
Konidaris, K. F.; Polyzou, C. D.; Kostakis, G. E.; Tasiopoulos, A. J.; Roubeau, O.; Teat, S. J.; Manessi-Zoupa, E.; Powell, A. K.; Perlepes, S. P.
2012. Dalton transactions, 41 (10), 2862–2865. doi:10.1039/c1dt11881a -
[2.2]Paracyclophane derived bisphosphines for the activation of hydrogen by FLPs: application in domino hydrosilylation/hydrogenation of enones
Greb, L.; Ona-Burgos, P.; Kubas, A.; Falk, F. C.; Breher, F.; Fink, K.; Paradies, J.
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On the relaxation toward equilibrium in an isolated strongly correlated one-dimensional Bose gas
Schmitteckert, P.
2012. Physica Scripta, T151, 014059/1–4. doi:10.1088/0031-8949/2012/T151/014059 -
Modeling loop backbone flexibility in receptor-ligand docking simulations
Flick, J.; Tristram, F.; Wenzel, W.
2012. Journal of computational chemistry, 33, 2504–2515. doi:10.1002/jcc.23087 -
In silico discovery of a compound with nanometer affinity to antithrombin causing partial activation and increased heparin affinity
Navarro-Fernandez, J.; Perez-Sanchez, H.; Martinez-Martinez, I.; Meliciani, I.; Guerrero, J. A.; Vicente, V.; Corral, J.; Wenzel, W.
2012. Journal of medicinal chemistry, 55 (14), 6403–6412. doi:10.1021/jm300621j -
Different interface orientations of pentacene and PTCDA induce different degrees of disorder
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SIMONA 1.0: An efficient and versatile framework for stochastic simulations of molecular and nanoscale systems
Strunk, T.; Wolf, M.; Brieg, M.; Klenin, K.; Biewer, A.; Tristram, F.; Ernst, M.; Kleine, P. J.; Heilmann, N.; Kondov, I.; Wenzel, W.
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Peptide structure prediction using distributed volunteer computing networks
Strunk, T.; Wolf, M.; Wenzel, W.
2012. Journal of mathematical chemistry, 50, 421–428. doi:10.1007/s10910-011-9937-x -
Homo-coupling of terminal alkynes on a noble metal surface
Zhang, Y. Q.; Kepcija, N.; Kleinschrodt, M.; Diller, K.; Fischer, S.; Papageorgiou, A. C.; Allegretti, F.; Björk, J.; Klyatskaya, S.; Klappenberger, F.; Ruben, M.; Barth, J. V.
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Reversible chiral switching of bis(phthalocyaninato) terbium(III) on a metal surface
Fu, Y. S.; Schwöbel, J.; Hla, S. W.; Dilullo, A.; Hoffmann, G.; Klyatskaya, S.; Ruben, M.; Wiesendanger, R.
2012. Nano Letters, 12, 3931–3935. doi:10.1021/nl302166z -
Real-space observation of spin-split molecular orbitals of adsorbed single-molecule magnets
Schwöbel, J.; Fu, Y.; Brede, J.; Dilullo, A.; Hoffmann, G.; Klyatskaya, S.; Ruben, M.; Wiesendanger, R.
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Mixed-valence heptanuclear iron complexes with ferromagnetic interaction
Salitros, I.; Boca, R.; Herchel, R.; Moncol, J.; Nemec, I.; Ruben, M.; Renz, F.
2012. Inorganic Chemistry, 51, 12755–12767. doi:10.1021/ic3015833 -
Exchange biasing single molecule magnets: coupling of TbPc₂ to antiferromagnetic layers
Lodi Rizzini, A.; Krull, C.; Balashov, T.; Mugarza, A.; Nistor, C.; Yakhou, F.; Sessi, V.; Klyatskaya, S.; Ruben, M.; Stepanow, S.; Gambardella, P.
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Electronic read-out of a single nuclear spin using a molecular spin transistor
Vincent, R.; Klyatskaya, S.; Ruben, M.; Wernsdorfer, W.; Balestro, F.
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Anion driven modulation of magnetic intermolecular interactions and spin crossover properties in an isomorphous series of mononuclear iron(III) complexes with a hexadentate Schiff base ligand
Nemec, I.; Herchel, R.; Salitros, I.; Travnicek, Z.; Moncol, J.; Fuess, H.; Ruben, M.; Linert, W.
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Water coordinated zinc dioxo-chlorin and porphyrin self-assemblies as chlorosomal mimics: variability of supramolecular interactions
Jesorka, A.; Holzwarth, A. R.; Eichhöfer, A.; Reddy, C. M.; Kinoshita, Y.; Tamiaki, H.; Katterle, M.; Naubron, J. V.; Balaban, T. S.
2012. Photochemical and Photobiological Sciences, 11, 1069–1080. doi:10.1039/c2pp25016k -
A ternary Cu-Sn-S cluster complex - (NBu₄)[Cu₁₉S₂₈(SnPh)₁₂(PEt₂Ph)₃]
Eichhöfer, A.; Jiang, J.; Lebedkin, S.; Fenske, D.; McDonald, D. G.; Corrigan, J. F.; Su, C. Y.
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High-accuracy extrapolated ab initio thermochemistry of the vinyl, allyl, and vinoxy radicals
Tabor, D. P.; Harding, M. E.; Ichino, T.; Stanton, J. F.
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Many-body effects in magnetic inelastic electron tunneling spectroscopy
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Increased efficiency of light-emitting diodes incorporating anodes functionalized with fluorinated azobenzene monolayers and a green-emitting polyfluorene derivative
Lazzerini, G. M.; Mian, S.; Stasio, F. di; Masillamani, A. M.; Crivillers, N.; Reinders, F.; Mayor, M.; Samori, P.; Cacialli, F.
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First-principle-based MD description of azobenzene molecular rods
Pipolo, S.; Benassi, E.; Brancolini, G.; Valasek, M.; Mayor, M.; Corni, S.
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Subtle impact of atomic ratio, charge and Lewis basicity on structure selection and stability: The Zintl anion [(La @ In₂Bi₁₁)(μ-Bi)₂(La@In₂Bi₁₁)]⁶⁻
Weinert, B.; Weigend, F.; Dehnen, S.
2012. Chemistry - a European journal, 18, 13589–13595. doi:10.1002/chem.201202369 -
Investigation of the zinc(II)-benzoate-2-pyridinealdoxime reaction system
Konidaris, K. F.; Bekiari, V.; Katsoulakou, E.; Raptopoulou, C. P.; Psycharis, V.; Manessi-Zoupa, E.; Kostakis, G. E.; Perlepes, S. P.
2012. Dalton Transactions, 41, 3797–3806. doi:10.1039/c2dt11853j -
A series of 3d-4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs
Peng, G.; Liu, Z.; Ma, L.; Liang, L.; Zhang, L.; Kostakis, G. E.; Deng, H.
2012. CrystEngComm, 14, 5974–5984. doi:10.1039/C2CE25214G -
The first structural determination of a copper (II) complex containing the ligand [1-(4-((1H-benzo[d][1,2,3]triazol-2(3H)-yl)methyl)benzyl)-1H-benzo[d][1,2,3]triazole]
Kostakis, G. E.; Xydias, P.; Nordlander, E.; Plakatouras, J. C.
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Accelerated cluster structure search using electron diffraction data in a genetic algorithm
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Derivatives of Bis(diphenylphosphino)maleic Anhydride as Ligands in Polynuclear Gold(I) Complexes
Yu, W.; Fuhr, O.; Fenske, D.
2012. Journal of cluster science, 23, 753–766. doi:10.1007/s10876-012-0487-6 -
The selenite-capped polyoxo-4 aurate(III), [Ausup(I)sup(I)sup(I)₄O₄(Sesup(I)sup(V)O₃)₄]⁴⁻
Xiang, Y.; Izarova, N. V.; Schinle, F.; Hampe, O.; Keita, B.; Kortz, U.
2012. Chemical communications, 48, 9849–9851. doi:10.1039/c2cc33795a -
Unraveling the hierarchic formation of open-porous bimolecular networks
Krenner, W.; Klappenberger, F.; Kepcija, N.; Arras, E.; Makoudi, Y.; Kühne, D.; Klyatskaya, S.; Ruben, M.; Barth, J. V.
2012. Journal of Physical Chemistry C, 116, 16421–16429. doi:10.1021/jp301226p -
The dark side of benzene: interference vs.interaction
Bohr, D.; Schmitteckert, P.
2012. Annalen der Physik, 524, 199–204. doi:10.1002/andp.201100266 -
Comparison of the density-matrix renormalization group method applied to fractional quantum Hall systems in different geometries
Hu, Z. X.; Papic, Z.; Johri, S.; Bhatt, R. N.; Schmitteckert, P.
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Shedding light on intermolecular metal organic ring interactions by theoretical studies
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Electronic and magnetic properties of molecule-metal interfaces: Transition-metal phthalocyanines adsorbed on Ag(100)
Mugarza, A.; Robles, R.; Krull, C.; Korytar, R.; Lorente, N.; Gambardella, P.
2012. Physical Review B, 85, 155437/1–13. doi:10.1103/PhysRevB.85.155437 -
Highly adaptable two-dimensional metal-organic coordination networks on metal surfaces
Kley, C. S.; Cechal, J.; Kumagai, T.; Schramm, F.; Ruben, M.; Stepanow, S.; Kern, K.
2012. Journal of the American Chemical Society, 134, 6072–6075. doi:10.1021/ja211749b -
Atomic force microscopy reveals bistable configurations of dibenzo[a,h]thianthrene and their interconversion pathway
Pavlicek, N.; Fleury, B.; Neu, M.; Niedenführ, J.; Herranz-Lancho, C.; Ruben, M.; Repp, J.
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Mirror images as naturally competing conformations in protein folding
Noel, J. K.; Schug, A.; Verma, A.; Wenzel, W.; Garcia, A. E.; Onuchic, J. N.
2012. The journal of physical chemistry <Washington, DC> / B, 116, 6880–6888. doi:10.1021/jp212623d -
A strongly blue-emitting heptametallic [Dysup(I)sup(I)sup(I)₇] centered-octahedral single-molecule magnet
Canaj, A. B.; Tzimopoulos, D. I.; Philippidis, A.; Kostakis, G. E.; Milios, C. J.
2012. Inorganic Chemistry, 51 (14), 7451–7453. doi:10.1021/ic301038q -
Cyclic and polycyclic tellurium-tin and tellurium-lead compounds - synthesis, structures and thermal decomposition
Traut, S.; Hänisch, C. von; Hähnel, A. P.; Stahl, S.
2012. Chemical Communications, 48, 6984–6986. doi:10.1039/c2cc32615a -
Constructing single-chain magnets by supramolecular π-π stacking and spin canting: a case study on manganese(III) corroles
Ding, M.; Wang, B.; Wang, Z.; Zhang, J.; Fuhr, O.; Fenske, D.; Gao, S.
2012. Chemistry - A European Journal, 18, 915–924. doi:10.1002/chem.201101912 -
Structures of medium sized tin cluster anions
Wiesel, A.; Drebov, N.; Rapps, T.; Ahlrichs, R.; Schwarz, U.; Kelting, R.; Weis, P.; Kappes, M. M.; Schooss, D.
2012. Physical Chemistry Chemical Physics, 14 (1), 234–245. doi:10.1039/c1cp22874a -
Synthetic molecular machines and polymer/monomer size switches that operate through dynamic and non-dynamic covalent changes
Stadler, A. M.; Ramirez, J.
2012. Barboiu, M. [Hrsg.] Constitutional Dynamic Chemistry Berlin [u.a.] : Springer, 2012 (Topics in Current Chemistry ; 322), 261–290
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[Sn₄Si{Si(SiMe₃)₃}₄{SiMe₃}₂]: a model compound for the unexpected first-order transition from a singlet biradicaloid to a classical bonded molecule
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2011. Angewandte Chemie - International Edition, 50, 7273–7277. doi:10.1002/anie.201102662 -
Charge density analysis of 2-methyl-4-nitro-1-phenyl-1 H-imidazole-5- carbonitrile: An experimental and theoretical study of C-N ... C-N interactions
Paul, A.; Kubicki, M.; Kubas, A.; Jelsch, C.; Fink, K.; Lecomte, C.
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NMR Study of Ligand Exchange and Electron Self-Exchange between Oxo-Centered Trinuclear Clusters [Fe₃(µ₃-O)(My-O₂CR)₆(4-R’py)₃]
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2011. Inorganic chemistry, 50 (20), 10402–10416. doi:10.1021/ic201484q -
Defect-Dicubane Ni₂Ln₂ (Ln = Dy, Tb) Single Molecule Magnets
Mondal, K. C.; Kostakis, G. E.; Lan, Y.; Wernsdorfer, W.; Anson, C. E.; Powell, A. K.
2011. Inorganic chemistry, 50 (22), 11604–11611. doi:10.1021/ic2015397 -
Contribution of Spin and Anisotropy to Single Molecule Magnet Behavior in a Family of Bell-Shaped Mn₁₁Ln₂ Coordination Clusters
Mereacre, V.; Lan, Y.; Clérac, R.; Ako, A. M.; Wernsdorfer, W.; Buth, G.; Anson, C. E.; Powell, A. K.
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Investigation of pre-structured GaAs surfaces for subsequent site-selective InAs quantum dot growth
Helfrich, M.; Gröger, R.; Förste, A.; Litvinov, D.; Gerthsen, D.; Schimmel, T.; Schaadt, D. M.
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Wave function multifractality and dephasing at metal-insulator and quantum Hall transitions
Burmistrov, I. S.; Berac, S.; Evers, F.; Gornyi, I. V.; Mirlin, A. D.
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Full Counting Statistics in the Self-Dual Interacting Resonant Level Model
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Giant magnetoresistance through a single molecule
Schmaus, S.; Bagrets, A.; Nahas, Y.; Yamada, T. K.; Bork, A.; Bowen, M.; Beaurepaire, E.; Evers, F.; Wulfhekel, W.
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Broadening of the derivative discontinuity in density functional theory
Evers, F.; Schmitteckert, P.
2011. Physical Chemistry, Chemical Physics, 13 (32), 14417–14420. doi:10.1039/C1CP21247H -
Single-Molecule Junctions Based on Nitrile-Terminated Biphenyls: A Promising New Anchoring Group
Mishchenko, A.; Zotti, L. A.; Vonlanthen, D.; Bürkle, M.; Pauly, F.; Cuevas, J. C.; Mayor, M.; Wandlowski, T.
2011. Journal of the American Chemical Society, 133 (2), 184–187. doi:10.1021/ja107340t -
Tuning the spin-transition properties of pyrene-decorated 2,6-bispyrazolylpyridine based Fe(II) complexes
Gonzalez-Prieto, R.; Fleury, B.; Schramm, F.; Zoppellaro, G.; Chandrasekar, R.; Fuhr, O.; Lebedkin, S.; Kappes, M. M.; Ruben, M.
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New Hexanuclear Group 11 Pyrazolate Complexes: Synthesis and Photophysical Features
Jozak, T.; Sun, Y.; Schmitt, Y.; Lebedkin, S.; Kappes, M. M.; Gerhards, M.; Thiel, W. R.
2011. Chemistry - A European Journal, 17 (12), 3384–3389. doi:10.1002/chem.201002894 -
Debundling, selection and release of SWNTs using fluorene-based photocleavable polymers
Lemasson, F.; Tittmann, J.; Hennrich, F.; Stürzl, N.; Malik, S.; Kappes, M. M.; Mayor, M.
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A low-wavenumber-extended confocal Raman microscope with very high laser excitation line discrimination
Lebedkin, S.; Blum, C.; Stürzl, N.; Hennrichand, F.; Kappes, M. M.
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Size and isotope effects of helium clusters and droplets: identification of surface and bulk-volume excitations
Haeften, K. von; Laarmann, T.; Wabnitz, H.; Möller, T.; Fink, K.
2011. The journal of physical chemistry <Washington, DC> / A, 115 (25), 7316–7326. doi:10.1021/jp2008489 -
Homoleptic 1-D Iron Selenolate Complexes—Synthesis, Structure, Magnetic and Thermal Behaviour of
Eichhöfer, A.; Buth, G.; Dolci, F.; Fink, K.; Mole, R. A.; Wood, P. T.
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How molecular oxygen binds to bis[trifluoroacetylacetonato(−1)]cobalt(II) : ab initio and density functional theory studies
Kubas, A.; Hartung, J.; Fink, K.
2011. Dalton transactions, 40 (42), 11289–11295. doi:10.1039/c1dt10724k -
Interference-corrected explicitly-correlated second-order perturbation theory
Vogiatzis, K. D.; Barnes, E. C.; Klopper, W.
2011. Chemical physics letters, 503 (1-3), 157–161. doi:10.1016/j.cplett.2010.12.065 -
The formal combination of three singlet biradicaloid entities to a singlet hexaradicaloid metalloid Ge₁₄[Si(SiMe₃)₃]₅[Li(THF)₂]₃ cluster
Schenk, C.; Kracke, A.; Fink, A.; Kubas, A.; Klopper, W.; Neumaier, M.; Schnöckel, H.; Schnepf, A.
2011. Journal of the American Chemical Society, 133 (8), 2518–2524. doi:10.1021/ja107446z -
Heating a bowl of single-molecule-soup: structure and desorption energetics of water-encapsulated open-cage [60] fullerenoid anions in gas-phase
Hampe, O.; Karpuschkin, T.; Vonderach, M.; Weis, P.; Yu, Y. M.; Gan, L. B.; Klopper, W.; Kappes, M. M.
2011. Physical chemistry, chemical physics, 13, 9818–9823. doi:10.1039/C1CP20307J -
Acceleration of self-consistent-field convergence by combining conventional diagonalization and a diagonalization-free procedure
Baldes, A.; Klopper, W.; Šimunek, J.; Noga, J.; Weigend, F.
2011. Journal of computational chemistry, 32 (14), 3129–3134. doi:10.1002/jcc.21877 -
Magnetic properties of paddlewheels and trinuclear clusters with exposed metal sites
Vogiatzis, K. D.; Klopper, W.; Mavrandonakis, A.; Fink, K.
2011. ChemPhysChem, 12 (17), 3307–3319. doi:10.1002/cphc.201100559 -
An experimental and theoretical study of novel luminescent di-, tri- and tetranuclear copper triazole complexes
Zink, D. M.; Grab, T.; Baumann, T.; Nieger, M.; Barnes, E. C.; Klopper, W.; Bräse, S.
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Branched DNA that forms a solid at 95⁰C
Singh, A.; Tolev, M.; Meng, M.; Klenin, K.; Plietzsch, O.; Schilling, C. I.; Muller, T.; Nieger, M.; Bräse, S.; Wenzel, W.; Richert, C.
2011. Angewandte Chemie / International edition, 50 (14), 3227–3231. doi:10.1002/anie.201006992 -
Combined Use of Magnetic Susceptibility Measurements and 57Fe Mössbauer Spectroscopy To Determine the Magnetic Ground State of an FeIII16 Cluster
Ako, A. M.; Merecre, V.; Lan, Y.; Anson, C. E.; Powell, A. K.
2011. Chemistry - a European journal, 17 (16), 4366–4370. doi:10.1002/chem.201003574 -
Antiferromagnetically Coupled Iron Ions in a Polynuclear Fe
Mereacre, V.; Prodius, D.; Lan, Y.; Turta, C.; Anson, C. E.; Powell, A. K.
2011. Chemistry - a European journal, 17 (1), 123–128. doi:10.1002/chem.201002060 -
Structural variation from 1D chains to 3D networks: a systematic study of coordination number effect on the construction of coordination polymers using the terepthaloylbisglycinate ligand
Kostakis, G. E.; Casella, L.; Boudalis, A. K.; Monzani, E.; Plakatouras, J. C.
2011. New Journal of Chemistry, 35, 1060–1071. doi:10.1039/c0nj01009j -
Dichloro organosilicon bismuthanes as precursors for rare compounds with a bismuth-pnictogen or bismuth-tellurium bond
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Relaxation dynamics of electronically excited C₆₀⁻ in o-dichlorobenzene and tetrahydrofuran solution
Brands, H.; Ehrler, O. T.; Kappes, M.; Unterreiner, A. N.
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Growth of non-polar GaN on LiGaO₂ by plasma-assisted MBE
Schuber, R.; Chen, Y. L.; Shih, C. H.; Huang, T. H.; Vincze, P.; Lo, I.; Chang, L. W.; Schimmel, T.; Chou, M. M. C.; Schaadt, D. M.
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Structural model of the gas vesicle protein GvpA and analysis of GvpA mutants in vivo
Strunk, T.; Hamacher, K.; Hoffgaard, F.; Engelhardt, H.; Zillig, M. D.; Faist, K.; Wenzel, W.; Pfeifer, F.
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Domain-wall spin dynamics in Kagome antiferromagnets
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Places and chemistry: Strasbourg - a chemical crucible seen through historical personalities
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Modulation of self-assembly and magnetism of Cu(II) grids in solution
Parizel, N.; Ramirez, J.; Burg, C.; Choua, S.; Bernard, M.; Gambarelli, S.; Maurel, V.; Brelot, L.; Lehn, J. P.; Turek, P.; Stadler, A. M.
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Direct monitoring of opto-mechanical switching of self-assembled monolayer films containing the azobenzene group
Tirosh, E.; Benassi, E.; Pipolo, S.; Mayor, M.; Valasek, M.; Frydman, V.; Corni, S.; Cohen, S. R.
2011. Beilstein Journal of Nanotechnology, 2, 834–844. doi:10.3762/bjnano.2.93 -
Phosphorescence energies of organic light-emitting diodes from spin-flip Tamm-Dancoff approximation time-dependent density functional theory
Kühn, M.; Weigend, F.
2011. ChemPhysChem, 12 (17), 3331–3336. doi:10.1002/cphc.201100310 -
Jahn-Teller distortion versus spin-orbit splitting: symmetry of small heavy-metal atom clusters
Baldes, A.; Gulde, R.; Weigend, F.
2011. Journal of Cluster Science, 22 (3), 355–363. doi:10.1007/s10876-011-0379-1 -
Structures and properties of neutral gallium clusters: A theoretical investigation
Drebkov, N.; Weigend, F.; Ahlrichs, R.
2011. Journal of Chemical Physics, 135, 044314/1–7. doi:10.1063/1.3615501 -
Positioning of single Co atoms steered by a self-assembled organic molecular template
Krenner, W.; Klappenberger, F.; Kühne, D.; Diller, K.; Qu, Z. R.; Ruben, M.; Barth, J. V.
2011. Journal of Physical Chemistry Letters, 2, 1639–1645. doi:10.1021/jz200677w -
Coupling single molecule magnets to ferromagnetic substrates
Lodi Rizzini, A.; Krull, C.; Balashov, T.; Kavich, J. J.; Mugarza, A.; Miedema, P. S.; Thakur, P. K.; Sessi, V.; Klyatskaya, S.; Ruben, M.; Stepanow, S.; Gambardella, P.
2011. Physical Review Letters, 107, 177205/1–5. doi:10.1103/PhysRevLett.107.177205 -
Supramolecular spin valves
Urdampilleta, M.; Klyatskaya, S.; Cleuziou, J. P.; Ruben, M.; Wernsdorfer, W.
2011. Nature materials, 10 (7), 502–506. doi:10.1038/nmat3050 -
Low-energy spin dynamics in the [YPc₂]⁰ S = 1/2 antiferromagnetic chain
Branzoli, F.; Carretta, P.; Filibian, M.; Klyatskaya, S.; Ruben, M.
2011. Physical Review B, 83, 174419/1–5. doi:10.1103/PhysRevB.83.174419 -
Thin deposits and patterning of room-temperature-switchable one-dimensional spin-crossover compounds
Cavallini, M.; Bergenti, I.; Milita, S.; Kengne, J. C.; Gentili, D.; Ruani, G.; Salitros, I.; Meded, V.; Ruben, M.
2011. Langmuir, 27, 4076–4081. doi:10.1021/la104901m -
Surface-confined self-assembly of di-carbonitrile polyphenyls
Klyatskaya, S.; Klappenberger, F.; Schlickum, U.; Kühne, D.; Marschall, M.; Reichert, J.; Decker, R.; Krenner, W.; Zoppellaro, G.; Brune, H.; Barth, J. V.; Ruben, M.
2011. Advanced Functional Materials, 21, 1230–1240. doi:10.1002/adfm.201001437 -
Tunable quantum dot arrays formed from self-assembled metal-organic networks
Klappenberger, F.; Kühne, D.; Krenner, W.; Silanes, I.; Arnau, A.; Garcia de Abajo, F. J.; Klyatskaya, S.; Ruben, M.; Barth, J. V.
2011. Physical Review Letters, 106, 026802/1–4. doi:10.1103/PhysRevLett.106.026802 -
Racemisation dynamics of torsion angle restricted biphenyl push-pull cyclophanes
Rotzler, J.; Gsellinger, H.; Neuburger, M.; Vonlanthen, D.; Häussinger, D.; Mayor, M.
2011. Organic and Biomolecular Chemistry, 9, 86–91. doi:10.1039/C0OB00650E -
Two-dimensional self-assemlbly of linear molecular rods at the liquid/solid interface
Mu, Z.; Shu, L.; Fuchs, H.; Mayor, M.; Chi, L.
2011. Langmuir, 27, 1359–1363. doi:10.1021/la1040079 -
Electronic decoupling of a cyclophane from a metal surface
Matino, F.; Schull, G.; Köhler, F.; Gabutti, S.; Mayor, M.; Berndt, R.
2011. Proceedings of the National Academy of Sciences of the United States of America, 108, 961–964. doi:10.1073/pnas.1006661107 -
Optical modulation of the charge injection in an organic field-effect transistor based on photochromic self-assembled-monolayer-functionalized electrodes
Crivillers, N.; Orgiu, E.; Reinders, F.; Mayor, M.; Samori, P.
2011. Advanced Materials, 23, 1447–1452. doi:10.1002/adma.201003736 -
Direct control of the spatial arrangement of gold nanoparticles in organic-inorganic hybrid superstructures
Hermes, J. P.; Sander, F.; Peterle, T.; Cioffi, C.; Ringler, P.; Pfohl, T.; Mayor, M.
2011. Small, 7, 920–929. doi:10.1002/smll.201002101 -
Quantum interference of large organic molecules
Gerlich, S.; Eibenberger, S.; Tomandl, M.; Nimmrichter, S.; Hornberger, K.; Fagan, P.; Tüxen, J.; Mayor, M.; Arndt, M.
2011. Nature Communications, 2, 263/1–5. doi:10.1038/ncomms1263 -
From ligand-stabilized gold nanoparticles to hybrid organic-inorganic superstructures
Hermes, J. P.; Sander, F.; Peterle, T.; Mayor, M.
2011. Chimia, 65, 219–222. doi:10.2533/chimia.2011.219 -
In situ gap-mode Raman spectroscopy on single-crystal Au(100) electrodes: tuning the torsion angle of 4,4’-biphenyldithiols by an electrochemical gate field
Cui, L.; Liu, B.; Vonlanthen, D.; Mayor, M.; Fu, Y.; Li, J. F.; Wandlowski, T.
2011. Journal of the American Chemical Society, 133, 7332–7335. doi:10.1021/ja2020185 -
Conformationally controlled electron delocalization in n-type rods: synthesis, structure, and optical, electrochemical, and spectroelectrochemical properties of dicyanocyclophanes
Vonlanthen, D.; Rudnev, A.; Mishchenko, A.; Käslin, A.; Rotzler, J.; Neuburger, M.; Wandlowski, T.; Mayor, M.
2011. Chemistry - A European Journal, 17, 7236–7250. doi:10.1002/chem.201003763 -
Redox-switching in a viologen-type adlayer: an electrochemical shell-isolated nanoparticle enhanced Raman spectroscopy study on Au(111)-(1x1) single crystal electrodes
Liu, B.; Blaszczyk, A.; Mayor, M.; Wandlowski, T.
2011. ACS Nano, 5, 5662–5672. doi:10.1021/nn201307g -
Photoinduced work function changes by isomerization of a densely packed azobenzene-based SAM on Au: a joint experimental and theoretical study
Crivillers, N.; Liscio, A.; Stasio, F. di; Dyck, C. van; Osella, S.; Cornil, D.; Mian, S.; Lazzerini, G. M.; Fenwick, O.; Orgiu, E.; Reinders, F.; Braun, S.; Fahlman, M.; Mayor, M.; Cornil, J.; Palermo, V.; Cacialli, F.; Samori, P.
2011. Physical Chemistry Chemical Physics, 13, 14302–14310. doi:10.1039/c1cp20851a -
Highly flourous porphyrins as model compounds for molecule interferometry
Tüxen, J.; Eibenberger, S.; Gerlich, S.; Arndt, M.; Mayor, M.
2011. European journal of organic chemistry, 2011, 4823–4833. doi:10.1002/ejoc.201100638 -
Phenyl-acetylene bond assembly: a powerful tool for the construction of nanoscale architectures
Jenny, N. M.; Mayor, M.; Eaton, T. R.
2011. European journal of organic chemistry, 2011 (26), 4965–4983. doi:10.1002/ejoc.201100176 -
Modular functionalization of electrodes by cross-coupling reactions at their surfaces
Müri, M.; Gotsmann, B.; Leroux, Y.; Trouwborst, M.; Lörtscher, E.; Riel, H.; Mayor, M.
2011. Advanced functional materials, 21 (19), 3706–3714. doi:10.1002/adfm.201100642 -
Light emission from a double-decker molecule on a metal surface
Schneider, N. L.; Matino, F.; Schull, G.; Gabutti, S.; Mayor, M.; Berndt, R.
2011. Physical Review B, 84, 153403/1–4. doi:10.1103/PhysRevB.84.153403 -
Gold nanoparticles stabilized by thioether dendrimers
Hermes, J. P.; Sander, F.; Peterle, T.; Urbani, R.; Pfohl, T.; Thompson, D.; Mayor, M.
2011. Chemistry - A European Journal, 17, 13473–13481. doi:10.1002/chem.201101837 -
Optically switchable molecular device using microsphere based junctions
Faramarzi, V.; Raimondo, C.; Reinders, F.; Mayor, M.; Samori, P.; Doudin, B.
2011. Applied Physics Letters, 99, 233104/1–3. doi:10.1063/1.3665940 -
Topological phases and delocalization of quantum walks in random environments
Obuse, H.; Kawakami, N.
2011. Physical Review B, 84, 195139/1–6. doi:10.1103/PhysRevB.84.195139 -
Integrable impurities as boundary conditions
Moliner, M.; Schmitteckert, P.
2011. EPL, 96, 10010/P1-P6. doi:10.1209/0295-5075/96/10010 -
Receptor flexibility in small-molecule docking calculations
Kokh, D. B.; Wade, R. C.; Wenzel, W.
2011. Wiley Interdisciplinary Reviews: Computational Molecular Science, 1, 298–314. doi:10.1002/wcms.29 -
Fine-tuning of lanthanide-monocarboxylate coordination networks through ligand decoration
Majeed, Z.; Kostakis, G. E.; Lan, Y.; Powell, A. K.
2011. Dalton Transactions, 40, 12210–12216. doi:10.1039/c1dt10917k -
One-pot synthesis of functionalized spirobenzofuranones via MCR involving 3-cyanochromones
Zarganes-Tzitzikas, T.; Terzidis, M. A.; Stephanidou-Stephanatou, J.; Tsoleridis, C. A.; Kostakis, G. E.
2011. Journal of Organic Chemistry, 76, 9008–9014. doi:10.1021/jo201732g -
One-dimensional cadmium(II)/bicinate(-1) complexes: The role of the alkali metal ion used in the reaction medium
Katsoulakou, E.; Konidaris, K. F.; Terzis, A.; Raptopoulou, C. P.; Perlepes, S. P.; Manessi-Zoupa, E.; Kostakis, G. E.
2011. Polyhedron, 30, 397–404. doi:10.1016/j.poly.2010.11.003 -
The supramolecular architecture of the second coordination sphere complex between the ammonia adduct of tris(pentafluorophenyl)borane and pyrimidine: two interpenetrating chiral (10,3)-α (srs) nets assembled through hydrogen bonding
Fuller, A. M.; Hughes, D. L.; Kostakis, G. E.; Lancaster, S. J.; Powell, A. K.
2011. Inorganica Chimica Acta, 366, 380–383. doi:10.1016/j.ica.2010.10.022 -
Structure and magnetic properties of hexanuclear 3d-4f clusters with {Mnsup(I)sup(I)sup(I)₂Lnsup(I)sup(I)sup(I)₄} (Ln= Sm, Eu, Gd, Tb, Dy, Ho) core
Feuersenger, J.; Prodius, D.; Mereacre, V.; Clerac, R.; Anson, C. E.; Powell, A. K.
2011. Inorganic Chemistry Communications, 14, 1851–1854. doi:10.1016/j.inoche.2011.08.007 -
A family of 13 tetranuclear zinc(II)-lanthanide(III) complexes of a [3+3] Schiff-base macrocycle derived from 1,4-diformyl-2,3-dihydroxybenzene
Feltham, H. L. C.; Klöwer, F.; Cameron, S. A.; Larsen, D. S.; Lan, Y.; Tropiano, M.; Faulkner, S.; Powell, A. K.; Brooker, S.
2011. Dalton Transactions, 40, 11425–11432. doi:10.1039/c1dt11038a -
[Sn₄Si{Si(SiMe₃)₃}₄{SiMe₃}₂]: eine Modellverbindung für den unerwarteten Übergang erster Ordnung eines Singulett-Biradikaloids zu einem klassisch gebundenen System
Schrenk, C.; Kubas, A.; Fink, K.; Schnepf, A.
2011. Angewandte Chemie, 123, 7411–7415. doi:10.1002/ange.201102662 -
Synthese und Strukturaufklärung Trimethylsiloxy-funktionalisierter Kupferchalkogenidcluster
Langer, R.; Yu, W.; Wünsche, L.; Buth, G.; Fuhr, O.; Fenske, D.
2011. Zeitschrift für Anorganische und Allgemeine Chemie, 637, 1834–1840. doi:10.1002/zaac.201100249 -
Syntheses, structures, and properties of trinuclear copper(I)/titanium(IV) thiolate complexes
Andrushko, V.; Sommer, H.; Himmel, D.; Fenske, D.; Eichhöfer, A.
2011. European journal of inorganic chemistry, 2011 (20), 3102–3110. doi:10.1002/ejic.201100132 -
Discrete Ag₆L₆ coordination nanotubular structures based on a T-shaped pyridyl diphosphine
Wang, X.; Huang, J.; Xiang, S.; Liu, Y.; Zhang, J.; Eichhöfer, A.; Fenske, D.; Bai, S.; Su, C. Y.
2011. Chemical Communications, 47, 3849–3851. doi:10.1039/c0cc05235c -
Ferrocene-based trimethylsilyl chalcogenide reagents for the assembly of functionalized metal-chalcogen architectures
MacDonald, D. G.; Eichhöfer, A.; Campana, C. F.; Corrigan, J. F.
2011. Chemistry - A European Journal, 17, 5890–5902. doi:10.1002/chem.201003756 -
Probin electrostatic interactions and structural changes in highly charged protein polyanions by conformer-selective photoelectron spectroscopy
Vonderach, M.; Ehrler, O. T.; Matheis, K.; Karpuschkin, T.; Papalazarou, E.; Brunet, C.; Antoine, R.; Weis, P.; Hampe, O.; Kappes, M. M.; Dugourd, P.
2011. Physical Chemistry Chemical Physics, 13, 15554–15558. doi:10.1039/c1cp21528k -
Influence of metal ion on structural motif in coordination polymers of the pseudopeptidic ligand terephthaloyl-bis-beta-alaninate
Morrison, C. N.; Powell, A. K.; Kostakis, G. E.
2011. Crystal Growth and Design, 11, 3653–3662. doi:10.1021/cg2007028 -
Functionalized silver chalcogenide clusters
Langer, R.; Breitung, B.; Wünsche, L.; Fenske, D.; Fuhr, O.
2011. Zeitschrift für Anorganische und Allgemeine Chemie, 637, 995–1005. doi:10.1002/zaac.201100018 -
Influence of alkali metal cation (Li(I), Na(I), K(I)) on the construction of chiral and achiral heterometallic coordination polymers
Peng, G.; Ma, L.; Cai, J.; Liang, L.; Deng, H.; Kostakis, G. E.
2011. Crystal Growth and Design, 11, 2485–2492. doi:10.1021/cg200255r -
Nasal embryonic LHRH factor (NELF) mutations in patients with normosmic hypogonadotropic hypogonadism and Kallmann syndrome
Xu, N.; Kim, H. G.; Bhagavath, B.; Cho, S. G.; Lee, J. H.; Ha, K.; Meliciani, I.; Wenzel, W.; Podolsky, R. H.; Chorich, L. P.; Stackhouse, K. A.; Grove, A. M. H.; Odom, L. N.; Ozata, M.; Blick, D. P.; Sherins, R. J.; Kim, S. H.; Cameron, R. S.; Layman, L. C.
2011. Fertility and sterility, 95, 1613–1620.e7. doi:10.1016/j.fertnstert.2011.01.010 -
Resonant neutral particle emission in collisions of electrons with protonated peptides with disulfide bonds at high energies
Tanabe, T.; Noda, K.; Miyagi, S.; Kurita, N.; Tanaka, S.; Setzler, J.; Wenzel, W.; Starikov, E. B.; Cuniberti, G.
2011. Chemical physics letters, 504, 83–87. doi:10.1016/j.cplett.2011.01.058 -
Optimization methods for virtual screening on novel computational architectures
Perez-Sanchez, H.; Wenzel, W.
2011. Current Computer-Aided Drug Design, 7 (1), 44–52. doi:10.2174/157340911793743565 -
hERG K⁺ channel-associated cardiac effects of the antidepressant drug desipramine
Staudacher, I.; Wang, L.; Wan, X.; Obers, S.; Wenzel, W.; Tristram, F.; Koschny, R.; Staudacher, K.; Kisselbach, J.; Koelsch, P.; Schweizer, P. A.; Katus, H. A.; Ficker, E.; Thomas, D.
2011. Naunyn-Schmiedeberg’s archives of pharmacology, 383, 119–139. doi:10.1007/s00210-010-0583-9 -
From molecular wires to potential molecular cables
Stuparu, A.; Fischer, M.; Fuhr, O.; Hampe, O.; Stroh, C.
2011. Inorganic Chemistry Communications, 14, 42–45. doi:10.1016/j.inoche.2010.09.026 -
Effective parallelization of non-bonded interactions kernel for virtual screening on GPUs
Guerrero, G. D.; Perez-Sanchez, H.; Wenzel, W.; Cecilia, J. M.; Garcia, J. M.
2011. Rocha, M.P. [Hrsg.] 5th Internat.Conf.on Practical Applications of Computational Biology & Bioinformatics (PACBB ’11), Salamanca, E, April 6-8, 2011 Berlin [u.a.] : Springer, 2011 (Advances in Intelligent and Soft Computing ; 93), 63–69 -
All-Atom Replica Exchange Simulations of Denaturant Induced Partial Unfolding of RNaseH
Widmaier, S.; Kondov, I.; Wenzel, W.
2011. Computational Methods in Science and Engineering - Proceedings of the Workshop SimLabs@KIT, November 29 - 30, 2010, Karlsruhe, Germany. Ed.: I. Kondov, 59–66, KIT Scientific Publishing -
Development and evaluation of a GPU-optimized N-body term for the simulation of biomolecules
Strunk, T.; Wolf, M.; Wenzel, W.
2011. Computational Methods in Science and Engineering - Proceedings of the Workshop SimLabs@KIT, November 29 - 30, 2010, Karlsruhe, Germany. Ed.: I. Kondov, 35–46, KIT Scientific Publishing -
A pipeline pilot based SOAP implementation of FlexScreen for high-throughput virtual screening
Perez-Sanchez, H.; Kondov, I.; Garcia, J. M.; Klenin, K.; Wenzel, W.
2011. 3rd Internat.Workshop on Science Gateways for Life Sciences (IWSG Life 2011), London, GB, June 8-10, 2011 -
Benchmarkin the POEM @ HOME network for protein structure prediction
Strunk, T.; Anand, P.; Brieg, M.; Wolf, M.; Klenin, K.; Meliciani, I.; Tristram, F.; Kondov, I.; Wenzel, W.
2011. 3rd Internat.Workshop on Science Gateways for Life Sciences (IWSG Life 2011), London, GB, June 8-10, 2011 -
Conductance and noise correlations of correlated nanostructures
Branschädel, A.; Schmitteckert, P.
2011. High performance computing in science and engineering ’10 : transactions of the High Performance Computing Center, Stuttgart (HLRS) 2010 ; [14th [i.e. 13th] Annual Results and Review Workshop on High Performance Computing in Science and Engineering, which was held on October 4 - 5, 2010 at the Stuttgart University ; workshop proceedings. Ed.: Wolfgang E. Nagel, Nagel, W. [Hrsg.] High Performance Computing in Science and Engineering ’10 : Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2010 Berlin [u.a.] : Springer, 2011, 169–179, Springer Berlin Heidelberg. doi:10.1007/978-3-642-15748-6_13
2010
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Metal-rich copper chalcogenide clusters at the border between molecule and bulk phase: the structures of [Cu₉₃Se₄₂(SeC₆H₄SMe)₉(PPh₃)₁₈], [Cu₉₆Se₄₅(SeC₆H₄SMe)₆(PPh₃)₁₈] and [Cu₁₃₆S₅₆(SCH₂C₄H₃O)₂₄(dpppt)₁₀]
Fu, M. L.; Issac, I.; Fenske, D.; Fuhr, O.
2010. Angewandte Chemie - International Edition, 49, 6899–6903. doi:10.1002/anie.201001301 -
A noble-metalate bowl: The polyoxo-6-vanado(V)-7-palladate(II) [Pd₇V₆O₂₄(OH)₂]⁶⁻
Izarova, N. V.; Vankova, N.; Banerjee, A.; Jameson, G. B.; Heine, T.; Schinle, F.; Hampe, O.; Kortz, U.
2010. Angewandte Chemie - International Edition, 49, 7807–11. doi:10.1002/anie.201001738 -
Tracking spin and charge with spectroscopy in spin-polarised 1D systems
Ulbricht, T.; Schmitteckert, P.
2010. epl, 89 (4), 47001/1–6. doi:10.1209/0295-5075/89/47001 -
Conductance of inhomogeneous systems: Real-time dynamics
Branschädel, A.; Schneider, G.; Schmitteckert, P.
2010. Annalen der Physik, 522 (9), 657–678. doi:10.1002/andp.201000017 -
Color-charge separation in trapped SU(3) fermionic atoms
Ulbricht, T.; Molina, R. A.; Thomale, R.; Schmitteckert, P.
2010. Physical Review A, 82 (1), 011603(R)/1–4. doi:10.1103/PhysRevA.82.011603 -
The embedding method beyond the single-channel case
Freyn, A.; Vasseur, G.; Schmitteckert, P.; Weinmann, D.; Ingold, G.-L.; Jalabert, R. A.; Pichard, J.-L.
2010. European Physical Journal B, 75 (2), 253–266. doi:10.1140/epjb/e2010-00153-y -
Numerical evaluation of shot noise using real-time simulations
Branschädel, A.; Boulat, E.; Saleur, H.; Schmitteckert, P.
2010. Physical Review B, 82 (20), 205414/1–6. doi:10.1103/PhysRevB.82.205414 -
Shot Noise in the Self-Dual Interacting Resonant Level Model
Branschädel, A.; Boulat, E.; Saleur, H.; Schmitteckert, P.
2010. Physical review letters, 105 (14), Art.Nr. 146805. doi:10.1103/PhysRevLett.105.146805 -
Magnetic field and contact resistance dependence of non-local charge imbalance
Kleine, A.; Baumgartner, A.; Trbovic, J.; Golubev, D. S.; Zaikin, A. D.; Schönenberger, C.
2010. Nanotechnology, 21 (27), 274002/1–7. doi:10.1088/0957-4484/21/27/274002 -
Influence of Conformation on Conductance of Biphenyl-Dithiol Single-Molecule Contacts
Mishchenko, A.; Vonlanthen, D.; Meded, V.; Bürkle, M.; Li, C.; Pobelov, I. V.; Bagrets, A.; Viljas, J. K.; Pauly, F.; Evers, F.; Mayor, M.; Wandlowski, T.
2010. Nano Letters, 10 (1), 156–163. doi:10.1021/nl903084b -
Influence of the Relative Humidity on the Demixing of Polymer Blends on Prepatterned Substrates
Geldhauser, T.; Walheim, S.; Schimmel, T.; Leiderer, P.; Boneberg, J.
2010. Macromolecules, 43 (2), 1124–1128. doi:10.1021/ma9022058 -
Gold Mesostructures with Tailored Surface Topography and Their Self-Assembly Arrays for Surface-Enhanced Raman Spectroscopy
Fang, J.; Du, S.; Lebedkin, S.; Li, Z.; Kruk, R.; Kappes, M. M.; Hahn, H.
2010. Nano Letters, 10 (12), 5006–5013. doi:10.1021/nl103161q -
Structures of tin cluster cations Sn₃⁺ to Sn₁₅⁺
Drebov, N.; Oger, E.; Rapps, T.; Kelting, R.; Schooss, D.; Weis, P.; Kappes, M. M.; Ahlrichs, R.
2010. The journal of chemical physics, 133 (22), 1–9. doi:10.1063/1.3514907 -
Properties of non-IPR fullerene films versus size of the building blocks
Löffler, D.; Ulas, S.; Jester, S.-S.; Weis, P.; Böttcher, A.; Kappes, M. M.
2010. Physical chemistry, chemical physics, 12 (36), 10671–10684. doi:10.1039/c0cp00137f -
Laser-Induced Fluorescence of Rhodamine 6G Cations in the Gas Phase: A Lower Bound to the Lifetime of the First Triplet State
Kordel, M.; Schooss, D.; Neiss, C.; Walter, L.; Kappes, M. M.
2010. Journal of Physical Chemistry A, 114 (17), 5509–5514. doi:10.1021/jp100636x -
Determining the size-dependent structure of ligand-free gold-cluster ions
Schooss, D.; Weis, P.; Hampe, O.; Kappes, M. M.
2010. Philosophical transactions of the Royal Society of London / A, 368 (1915), 1211–1243. doi:10.1098/rsta.2009.0269 -
Communications : Tin cluster anions (Sn
Lechtken, A.; Drebov, N.; Ahlrichs, R.; Kappes, M. M.; Schooss, D.
2010. The journal of chemical physics, 132 (21), 1–4. doi:10.1063/1.3442411 -
1-D-Tin(II) phenylchalcogenolato complexes
Eichhöfer, A.; Jiang, J. J.; Sommer, H.; Weigend, F.; Fuhr, O.; Fenske, D.; Su, C. Y.; Buth, G.
2010. European Journal of Inorganic Chemistry, 2010 (3), 410–418. doi:10.1002/ejic.200900940 -
Quantum chemical treatments of metal clusters
Weigend, F.; Ahlrichs, R.
2010. Philosophical Transactions of the Royal Society / A, 368 (1915), 1245–1263. doi:10.1098/rsta.2009.0268 -
Bistrimethylsilylamide Transition-Metal Complexes as Starting Reagents in the Synthesis of Ternary Cd-Mn-Se Cluster Complexes
Eichhöfer, A.; Hampe, O.; Lebedkin, S.; Weigend, F.
2010. Inorganic Chemistry, 49 (16), 7331–7339. doi:10.1021/ic100310w -
Chalcogen chemistry of group(IV) closo-dodecaborates, synthesis, theory and coordination chemistry
Dimmer, J. A.; Hornung, M.; Weigend, F.; Wesemann, L.
2010. Dalton Transactions, 39 (32), 7504–7512. doi:10.1039/c003042b -
Segmented contracted basis sets for one- and two-component Dirac-Fock effective core potentials
Weigend, F.; Baldes, A.
2010. Journal of Chemical Physics, 133 (17), 174102. doi:10.1063/1.3495681 -
Density-functional study on the migration of Cd and Te adsorbates on the (001) surface of CdTe
Patrakov, A. E.; Fink, R. F.; Fink, K.; Schmidt, T. C.; Engels, B.
2010. Physica Status Solidi (B), 247 (4), 937–944. doi:10.1002/pssb.201046080 -
NMR-spectroscopic and solid-state investigations of cometal-free asymmetric conjugate addition: a dinuclear paracyclophaneimine zinc methyl complex
Ay, S.; Ziegert, R. E.; Zhang, H.; Nieger, M.; Rissanen, K.; Fink, K.; Kubas, A.; Gschwind, R. M.; Bräse, S.
2010. Journal of the American Chemical Society, 132 (37), 12899–12905. doi:10.1021/ja1032502 -
Series of Isostructural Planar Lanthanide Complexes [LnIII4(μ3-OH)2(mdeaH)2(piv)8] with Single Molecule Magnet Behavior for the Dy4 Analogue
Abbas, G.; Lan, Y.; Kostakis, G. E.; Wernsdorfer, W.; Anson, C. E.; Powell, A. K.
2010. Inorganic chemistry, 49 (17), 8067–8072. doi:10.1021/ic1011605 -
Coordination Chemistry Without Frontiers: A Short Analysis and Applications of a New Method for the Description of Closed Coordination Clusters
Kostakis, G. E.; Powell, A. K.
2010. Chemistry - A European Journal, 16 (27), 7983–7987. doi:10.1002/chem.201001010 -
Structure and magnetic properties of a decanuclear Mn
Majeed, Z.; Mondal, K. C.; Kostakis, G. E.; Lan, Y.; Anson, C. E.; Powell, A. K.
2010. Dalton transactions, 39 (20), 4740–4743. doi:10.1039/c000082e -
[Ln₂(PhCO₂)₆(MeOH)₄] (Ln = Pr, Nd, Gd): the effect of lanthanide radius on network dimensionality
Nayak, S.; Kostakis, G. E.; Anson, C. E.; Powell, A. K.
2010. CrystEngComm, 12 (10), 3008–3011. doi:10.1039/c002284e -
Structures and magnetic properties of Mn
Mereacre, V.; Akhtar, M. N.; Lan, Y.; Ako, A. M.; Clérac, R.; Anson, C. E.; Powell, A. K.
2010. Dalton transactions, 39 (20), 4918–4927. doi:10.1039/b926899e -
[LnNa(PhCO₂)₄] (Ln = Ho, Dy) : The first examples of chiral srs 3D-networks constructed using the monotopic benzoate ligand
Majeed, Z.; Mondal, K. C.; Kostakis, G. E.; Lan, Y.; Anson, C. E.; Powell, A. K.
2010. Chemical communications, 46 (15), 2551–2553. doi:10.1039/b923998g -
Family of Mn
Mereacre, V.; Lan, Y.; Clérac, R.; Ako, A. M.; Hewitt, I. J.; Wernsdorfer, W.; Buth, G.; Anson, C. E.; Powell, A. K.
2010. Inorganic chemistry, 49 (11), 5293–5302. doi:10.1021/ic100373r -
Synthesis and Supramolecular Structure of a (5-(3-(1H-tetrazol-5-yl)phenyl)-1H-tetrazole) Cobalt Complex
Kostakis, G. E.; Anson, C. E.; Powell, A. K.
2010. Bioinorganic Chemistry and Applications, 2010, 1–5. doi:10.1155/2010/104329 -
Structural motifs and topological representation of Mn clusters
Kostakis, G. E.; Ako, A. M.; Powell, A. K.
2010. Chemical Society reviews, 39 (6), 2238–2271. doi:10.1039/B918192J -
Magnetic coordination clusters and networks: Synthesis and topological description
Kostakis, G. E.; Hewitt, I. J.; Ako, A. M.; Mereacre, V.; Powell, A. K.
2010. Philosophical transactions of the Royal Society of London / A, 368 (1915), 1509–1536. doi:10.1098/rsta.2009.0279 -
Combined Magnetic Susceptibility Measurements and ⁵⁷Fe Mössbauer Spectroscopy on a Ferromagnetic {Fe
Schray, D.; Abbas, G.; Lan, Y.; Mereacre, V.; Sundt, A.; Dreiser, J.; Waldmann, O.; Kostakis, G. E.; Anson, C. E.; Powell, A. K.
2010. Angewandte Chemie / International edition, 49 (30), 5185–5188. doi:10.1002/anie.201001110 -
Photo- and Thermally-Enhanced Charge Separation in Supramolecular Viologen-Hexacyanoferrate Complexes
Abouelwafa, A. S.; Mereacre, V.; Balaban, T. S.; Anson, C. E.; Powell, A. K.
2010. CrystEngComm, 12 (1), 94–99. doi:10.1039/b915642a -
An analysis of the role of Na⁺ in the construction of metal organic frameworks possessing the chiral (10,3) - a (srs) topology
Kostakis, G. E.; Powell, A. K.
2010. Dalton transactions, 39, 2449–2450. doi:10.1039/b917354d -
Influence of the Metal Radius on the Dimensionality of Hydrogen-Bonded Metal Supramolecular Frameworks in the Metal / p-BDTH₂ (1,4-Benzeneditetrazol-5-yl) Reaction System
Kostakis, G. E.; Mondal, K. C.; Anson, C. E.; Powell, A. K.
2010. Polyhedron, 29 (1), 24–29. doi:10.1016/j.poly.2009.05.057 -
Novel Pyridinium Dyes That Enable Investigations of Peptoids at the Single-Molecule Level
Rudat, B.; Birtalan, E.; Thome, I.; Kölmel, D. K.; Horhoiu, V. L.; Wissert, M. D.; Lemmer, U.; Eisler, H.-J.; Balaban, T. S.; Bräse, S.
2010. The journal of physical chemistry <Washington, DC> / B, 114 (42), 13473–13480. doi:10.1021/jp103308s -
Characterization of melt flow instabilities in polyethylene/carbon nanotube composites
Palza, H.; Reznik, B.; Kappes, M.; Hennrich, F.; Naue, I. F. C.; Wilhelm, M.
2010. Polymer, 51 (16), 3753–3761. doi:10.1016/j.polymer.2010.06.016 -
Synthesis and characterization of new mono-, bis-, and tris-oxamato proligands
Stroh, C.; Stuparu, A.
2010. Tetrahedron Letters, 51, 5157–5159. doi:10.1016/j.tetlet.2010.07.117 -
MP2/CBS atomic and molecular benchmarks for H through Ar
Barnes, E. C.; Petersson, G. A.
2010. Journal of Chemical Physics, 132, 114111/1–9. doi:10.1063/1.3317476 -
WDR11, a WD protein that interacts with transcription factor EMX1, is mutated in idiopathic hypogonadotropic hypogonadism and Kallmann syndrome
Kim, H. G.; Ahn, J. W.; Kurth, I.; Ullmann, R.; Kim, H. T.; Kulharya, A.; Ha, K. S.; Itokawa, Y.; Meliciani, I.; Wenzel, W.; Lee, D.; Rosenberger, G.; Ozata, M.; Bick, D. P.; Sherins, R. J.; Nagase, T.; Tekin, M.; Kim, S. H.; Kim, C. H.; Ropers, H. H.; Gusella, J. F.; Kalscheuer, V.
2010. American Journal of Human Genetics, 87, 465–479. doi:10.1016/j.ajhg.2010.08.018 -
Thermally stable porous hydrogen-bonded coordination networks displaying dual properties of robustness and dynamics upon guest uptake
Jiang, J. J.; Li, L.; Lan, M. H.; Pan, M.; Eichhöfer, A.; Fenske, D.; Su, C. Y.
2010. Chemistry - A European Journal, 16, 1841–1848. doi:10.1002/chem.200901929 -
Aromatic pathways in twisted hexaphyrins
Fliegl, H.; Sundholm, D.; Taubert, S.; Pichierri, F.
2010. Journal of Physical Chemistry A, 114, 7153–7161. doi:10.1021/jp1021517 -
Molecular electronics - from a visionary concept towards reality. Editorial
Mayor, M.
2010. Chimia, 64, 348–349 -
Molecular geometry and conformation: mathematical relations between intra-molecular distances and conformation in Frechet-type dendrimers and dendrons
Stadler, A. M.
2010. Journal of Mathematical Chemistry, 48, 566–82. doi:10.1007/s10910-010-9692-4 -
Structural features of Frechet-type dendrons and dendrimers in single crystals
Stadler, A. M.
2010. Crystal Growth and Design, 10, 5050–65. doi:10.1021/cg100445y -
Two in one: a Frechet-type dendron manifesting conformational duality
Stadler, A. M.; Brelot, L.
2010. Crystal Growth and Design, 10, 2285–90. doi:10.1021/cg901622c -
RUsup(I)sup(I) multinuclear metallosupramolecular rack-type architectures of polytopic hydrazone-based ligands: synthesis, structural features, absorption spectra, redox behavior, and near-infrared luminescence
Stadler, A. M.; Puntoriero, F.; Nastasi, F.; Campagna, S.; Lehn, J. M.
2010. Chemistry - A European Journal, 16, 5645–60. doi:10.1002/chem.200900632 -
Control of relative direction and amplitude in extension/contraction motions of molecular strands induced by ion binding
Stadler, A. M.; Ramirez, J.; Lehn, J. M.
2010. Chemistry - A European Journal, 16, 5369–78. doi:10.1002/chem.200902764 -
Luminescence properties of mesoporous chromium(III) terephthalate and inclusion compounds of cluster complexes
Kovalenko, K. A.; Dybtsev, D. N.; Lebedkin, S. F.; Fedin, V. P.
2010. Russian chemical bulletin, 59, 741–44. doi:10.1007/s11172-010-0155-7 -
High-temperature and photochemical syntheses of C₆₀ and C₇₀ fullerene derivatives with linear perfluoroalkyl chains
Shustova, N. B.; Kareev, I. E.; Kuvychko, I. V.; Whitaker, J. B.; Lebedkin, S. F.; Popov, A. A.; Dunsch, L.; Chen, Y. S.; Seppelt, K.; Strauss, S. H.; Boltalina, O. V.
2010. Journal of Fluorine Chemistry, 131, 1198–1212. doi:10.1016/j.jfluchem.2010.08.001 -
Calculating Green Functions from finite systems
Schmitteckert, P.
2010. Journal of Physics: Conference Series, 220, 012022/1–19. doi:10.1088/1742-6596/220/1/012022 -
Strong electronic correlations in LiₓM(Pc,Nc) organic conductors near half filling
Filibian, M.; Bordonali, L.; Carretta, P.; Mozzati, M. C.; Ghigna, P.; Klyatskaya, S.; Ruben, M.
2010. Journal of Physics: Conference Series, 200, 012033/1–4. doi:10.1088/1742-6596/200/1/012033 -
Spin and orbital magnetic moment anisotropies of monodispersed bis(phthalocyaninato)terbium on a copper surface
Stepanow, S.; Honolka, J.; Gambardella, P.; Vitali, L.; Abdurakhmanova, N.; Tseng, T. C.; Rauschenbach, S.; Tait, S. L.; Sessi, V.; Klyatskaya, S.; Ruben, M.; Kern, K.
2010. Journal of the American Chemical Society, 132, 11900–11901. doi:10.1021/ja105124r -
Surface-confined metal-organic nanostructures from Co-directed assembly of linear terphenyl-dicarbonitrile linkers on Ag(111)
Schlickum, U.; Klappenberger, F.; Decker, R.; Zoppellaro, G.; Klyatskaya, S.; Ruben, M.; Kern, K.; Brune, H.; Barth, J. V.
2010. Journal of Physical Chemistry C, 114, 15602–15602. doi:10.1021/jp104518h -
Spin and charge dynamics in [TbPc₂]⁰ and [DyPc₂]⁰ single-molecule magnets
Branzoli, F.; Carretta, P.; Filibian, M.; Graf, M. J.; Klyatskaya, S.; Ruben, M.; Coneri, F.; Dhakal, P.
2010. Physical Review B, 82, 134401/1–7. doi:10.1103/PhysRevB.82.134401 -
Rotational and constitutional dynamics of caged supramolecules
Kühne, D.; Klappenberger, F.; Krenner, W.; Klyatskaya, S.; Ruben, M.; Barth, J. V.
2010. Proceedings of the National Academy of Sciences of the United States of America, 107, 21332–21336. doi:10.1073/pnas.1008991107 -
Random two-dimensional string networks based on divergent coordination assembly
Marschall, M.; Reichert, J.; Weber-Bargioni, A.; Seufert, K.; Auwärter, W.; Klyatskaya, S.; Zoppellaro, G.; Ruben, M.; Barth, J. V.
2010. Nature Chemistry, 2, 131–37. doi:10.1038/nchem.503 -
Interferometrie mit komplexen Molekülen
Arndt, M.; Gerlich, S.; Hornberger, K.; Mayor, M.
2010. Physik-Journal, 2010 (10), 37 -
Conductance switching and vibrational fine structure of a [2x2] Cosup(I)sup(I)₄ gridlike single molecule measured in a three-terminal device
Osorio, E. A.; Ruben, M.; Seldenthuis, J. S.; Lehn, J. M.; Zant, H. S. J. van der
2010. Small, 6, 174–78. doi:10.1002/smll.200901559 -
Supramolecular lattice-solvent control of iron(II) spin transition parameters
Salitros, I.; Pavlik, J.; Boca, R.; Fuhr, O.; Rajadurai, C.; Ruben, M.
2010. CrystEngComm, 12, 2361–68. doi:10.1039/C002082F -
Variation of the ultrafast fluorescence quenching in 2,6-sulfanyl-core-substituted naphthalenediimides by electron transfer
Pugliesi, I.; Krok, P.; Lochbrunner, S.; Blaszczyk, A.; Hänisch, C. von; Mayor, M.; Riedle, E.
2010. Journal of Physical Chemistry A, 114, 12555–560. doi:10.1021/jp107742x -
Tuning the charge injection of P3HT-based organic thin-film transistors through electrode functionalization with oligophenylene SAMs
Orgiu, E.; Crivillers, N.; Rotzler, J.; Mayor, M.; Samori, P.
2010. Journal of Materials Chemistry, 20, 10798–800. doi:10.1039/C0JM03363D -
Electroluminescence from a single nanotube-molecule-nanotube junction
Marquardt, C. W.; Grunder, S.; Blaszczyk, A.; Dehm, S.; Hennrich, F.; Löhneysen, H. von; Mayor, M.; Krupke, R.
2010. Nature Nanotechnology, 5, 863–67. doi:10.1038/nnano.2010.230 -
The Salvinia paradox: superhydrophobic surfaces with hydrophilic pins for air retention under water
Barthlott, W.; Schimmel, T.; Wiersch, S.; Koch, K.; Brede, M.; Barczewski, M.; Walheim, S.; Weis, A.; Kaltenmaier, A.; Leder, A.; Bohn, H. F.
2010. Advanced Materials, 22, 2325–28. doi:10.1002/adma.200904411 -
Edelmetallatschale: Das Polyoxo-6-vanado(V)-7-palladate(II) [Pd₇V₆O₂₄(OH)₂]⁶⁻
Izarova, N. V.; Vankova, N.; Banerjee, A.; Jameson, G. B.; Heine, T.; Schinle, F.; Hampe, O.; Kortz, U.
2010. Angewandte Chemie, 122, 7975–80. doi:10.1002/ange.201001738 -
Metallreiche Kupferchalkogenidcluster am Übergang zwischen Molekül und Festkörper - die Strukturen von [Cu₉₃Se₄₂(SeC₆H₄SMe)₉(PPh₃)₁₈], [Cu₉₆Se₄₅(SeC₆H₄SMe)₆(PPh₃)₁₈] und [Cu₁₃₆S₅₆(SCH₂C₄H₃O)₂₄(dpppt)₁₀]
Fu, M. L.; Issac, I.; Fenske, D.; Fuhr, O.
2010. Angewandte Chemie, 122, 7052–56. doi:10.1002/ange.201001301 -
Supramolecular organization and chiral resolution of p-terphenyl-m-dicarbonitrile on the Ag(111) surface
Marschall, M.; Reichert, J.; Seufert, K.; Auwärter, W.; Klappenberger, F.; Weber-Bargioni, A.; Klyatskaya, S.; Zoppellaro, G.; Nefedov, A.; Strunskus, T.; Wöll, C.; Ruben, M.; Barth, J. V.
2010. ChemPhysChem, 11, 1446–51. doi:10.1002/cphc.200900938 -
Synthesis of rotationally restricted and modular biphenyl building blocks
Vonlanthen, D.; Rotzler, J.; Neuburger, M.; Mayor, M.
2010. European journal of organic chemistry, 2010 (1), 120–133. doi:10.1002/ejoc.200900805 -
Quantum interference distinguishes between constitutional isomers
Tüxen, J.; Gerlich, S.; Eibenberger, S.; Arndt, M.; Mayor, M.
2010. Chemical Communications, 46, 4145–47. doi:10.1039/c0cc00125b -
Loops versus stems: benzyclic sulfide oligomers forming carpet type monolayers
Sander, F.; Peterle, T.; Ballav, N.; Wrochem, F. von; Zharnikov, M.; Mayor, M.
2010. Journal of Physical Chemistry C, 114, 4118–25. doi:10.1021/jp911879x -
Variation of the backbone conjugation in NLO model compounds: torsion-angle-restricted, biphenyl-based push-pull-systems
Rotzler, J.; Vonlanthen, D.; Barsella, A.; Boeglin, A.; Fort, A.; Mayor, M.
2010. European journal of organic chemistry, 2010, 1096–110. doi:10.1002/ejoc.200901358 -
Light-responsive reversible solvation and precipitation of gold nanoparticles
Raimondo, C.; Reinders, F.; Soydaner, U.; Mayor, M.; Samori, P.
2010. Chemical Communications, 46, 1147–49. doi:10.1039/b915491d -
Cyclic conductance switching in networks of redox-active molecular junctions
Liao, J.; Agustsson, J. S.; Wu, S.; Schönenberger, C.; Calame, M.; Leroux, Y.; Mayor, M.; Jeannin, O.; Ran, Y. F.; Liu, S. X.; Decurtins, S.
2010. Nano Letters, 10, 759–64. doi:10.1021/nl902000e -
Oligoaryl cruciform structures as model compounds for coordination-induced single-molecule switches
Grunder, S.; Huber, R.; Wu, S.; Schönenberger, C.; Calame, M.; Mayor, M.
2010. European journal of organic chemistry, 2010 (5), 833–45. doi:10.1002/ejoc.200901150 -
Novel cruciform structures as model compounds for coordination induced single molecule switches
Grunder, S.; Huber, R.; Wu, S.; Schönenberger, C.; Calame, M.; Mayor, M.
2010. Chimia, 64, 140–44. doi:10.2533/chimia.2010.140 -
Influence of conformational molecular dynamics on matter wave interferometry
Gring, M.; Gerlich, S.; Eibenberger, S.; Nimmrichter, S.; Berrada, T.; Arndt, M.; Ulbricht, H.; Hornberger, K.; Müri, M.; Mayor, M.; Böckmann, M.; Doltsinis, N. L.
2010. Physical Review A, 81, 031604/1–4. doi:10.1103/PhysRevA.81.031604 -
Immobilization of zinc porphyrin complexes on pyridine-functionalized glass surfaces
Dreas-Wlodarczak, A.; Müllneritsch, M.; Juffmann, T.; Cioffi, C.; Arndt, M.; Mayor, M.
2010. Langmuir, 26, 10822–826. doi:10.1021/la100638u -
Experimental evidence for the functional relevance on anion-π interactions
Dawson, R. E.; Hennig, A.; Weimann, D. P.; Emery, D.; Ravikumar, V.; Montenegro, J.; Takeuchi, T.; Gabutti, S.; Mayor, M.; Mareda, J.; Schalley, C. A.; Matile, S.
2010. Nature chemistry, 2 (7), 533–38. doi:10.1038/nchem.657 -
Synthesis of molecular lead-pnictogen compounds including [Pb₄(SbSiiPr₃)₆], the first structurally characterised compound with a lead-antimony bond
Traut, S.; Hänisch, C. von
2010. Chemical Communications, 46, 1538–40. doi:10.1039/b921473a -
Growth and branching mechanisms of electrochemically self-organized mesoscale metallic wires
Zhong, S.; Wang, D.; Koch, T.; Wang, M.; Walheim, S.; Schimmel, T.
2010. Crystal growth and design, 10 (4), 1455–1459. doi:10.1021/cg9012747 -
Multilevel Atomic‐Scale Transistors Based on Metallic Quantum Point Contacts
Xie, F.; Maul, R.; Obermair, C.; Wenzel, W.; Schön, G.; Schimmel, T.
2010. Advanced materials, 22 (18), 2033–2036. doi:10.1002/adma.200902953 -
New laser apparatus to measure oscillation amplitude down to picometer at megahertz frequencies
Zhang, F. Z.; Walheim, S.; Schimmel, T.; Marti, O.
2010. Review of scientific instruments, 81 (3), Art.Nr. 035116. doi:10.1063/1.3368637 -
Templated Self-Assembly of ZnO Films on Monolayer Patterns with Nanoscale Resolution
Pitta Bauermann, L.; Gerstel, P.; Bill, J.; Walheim, S.; Huang, C.; Pfeifer, J.; Schimmel, T.
2010. Langmuir, 26 (6), 3774–3778. doi:10.1021/la903636k -
One-dimensional coordination polymers containing polynuclear (Selenolato) copper complexes linked by bipyridine ligands
Fu, M. L.; Fenske, D.; Weinert, B.; Fuhr, O.
2010. European journal of inorganic chemistry, 2010 (7), 1098–1102. doi:10.1002/ejic.200900711 -
Growth of A-plane GaN on (010) LiGaO₂ by plasma-assisted MBE
Schuber, R.; Chou, M. M. C.; Vincze, P.; Schimmel, T.; Schaadt, D. M.
2010. Journal of crystal growth, 312 (10), 1665–1670. doi:10.1016/j.jcrysgro.2010.02.030 -
Scanning Force Microscopy Study of Activated Human Platelets Interaction with Leucocytes and Red Blood Cells
Kukharenko, L. V.; Schimmel, T.; Fuchs, H.; Gelis, L. G.; Lazareva, I. V.
2010. Physics, Chemistry and Application of Nanostructures: Proceedings of the International Conference (Nanomeeting 2009), Minsk, Belarus, 26 - 29 May 2009. Ed.: V. E. Borisenko, 523–526, World Scientific Publishing -
A surface plasmon polariton absorption modulator
Melikyan, A.; Vallaitis, T.; Lindenmann, N.; Schimmel, T.; Freude, W.; Leuthold, J.
2010. Conf.on Lasers and Electro-Optics and The Quantum Electronics and Laser Science Conference (CLEO/QELS), San Jose, Calif., May 18-20, 2010 Proc.on CD-ROM Paper JThE77.pdf Washington, D.C. : Optical Society of America, 2010 Also publ.online -
Cells study with scanning force and confocal laser scanning microscopy
Kukharenko, L. V.; Schimmel, T.; Walheim, S.; Koshikawa, T.; Tsirkunova, N. G.; Aleinikova, O. V.; Shman, T. V.
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Conductance of correlated nanostructures
Branschädel, A.; Ulbricht, T.; Schmitteckert, P.
2010. Nagel, W. [Hrsg.] High Performance Computing in Science and Engineering ’09 : Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2009 Berlin [u.a.] : Springer, 2010, 123–35 -
Electronic responses of donor acceptor substituted twisted biphenyls
Boeglin, A.; Barsella, A.; Chaumeil, H.; Rotzler, J.; Mayor, M.; Fort, A.
2010. Eich, M. [Hrsg.] Linear and Nonlinear Optics of Organic Materials X : Proc.of Optics and Photonics 2010, San Diego, Calif., August 1-5, 2010 Bellingham, Wash. : SPIE, 2010 (Proceedings of SPIE ; 7774), 777408/1–10. doi:10.1117/12.860658 -
Optical and thermal properties of Ib-VI nanoparticles
Dehnen, S.; Eichhöfer, A.; Corrigan, J. F.; Fuhr, O.; Fenske, D.
2010. Schmid, G. [Hrsg.] Nanoparticles : From Theory to Application 2nd compl.rev.and updated Ed. Weinheim : Wiley-VCH, 2010, 392–401 -
Synthesis and characterization of Ib-VI nanoclusters
Dehnen, S.; Eichhöfer, A.; Corrigan, J. F.; Fuhr, O.; Fenske, D.
2010. Schmid, G. [Hrsg.] Nanoparticles : From Theory to Application 2nd compl.rev.and updated Ed. Weinheim : Wiley-VCH, 2010, 127–213 -
Adsorption/desorption behavior of charged polymer nanoparticles on a mineral surface in an aqueous environment
Gliemann, H.; Ballauff, M.; Schimmel, T.
2010. Frimmel, F.H. [Hrsg.] Nanoparticles in the Water Cycle : Properties, Analysis and Environmental Relevance Berlin [u.a.] : Springer, 2010, 81–102