Publications

I. Popov, P. Bügel, M. Kozlowska, K. Fink, F. Studt, D. I. Sharapa
Analytical Model of CVD Growth
Nanomaterial 12, 2079-4991(2022)
DOI: 10.3390/nano12172963
M.-K. Li, A. Riaz, M. Wederhake, K. Fink, A. Saha, S. Dehm, X. He, F. Schöppler, M. M. Kappes, H. Htoon, V. N. Popov, S. K. Doorn, T. Hertel, F. Hennrich, R. Krupke
Electroluminescence from Single-Walled Carbon Nanotubes with Quantum Defects
ACS Nano (2022)
DOI: 10.1021/acsnano.2c03083
M. Krstić, K. Fink, D. I. Sharapa
The Adsorption of Small Molecules on the Copper Paddle-Wheel: Influence of the Multi-Reference Ground State
Molecules, 27, 912 (2022)
DOI: 10.3390/molecules27030912
M. Suyetin, S. Bag, P. Anand, M. Borkowska-Panek, F. Gußmann, M. Brieg, K. Fink, W. Wenzel
Modelling peptide adsorption energies on gold surfaces with an effective implicit solvent and surface model
J. Colloid Interface Sci. 605, 493-499 (2022).
DOI: 10.1016/j.jcis.2021.07.090
H. E. Wagner, E. Barani, C. E. Anson, L. Bayer, A. Powell, K. Fink, F. Breher
Asymmetrically Difunctionalized 1,1′-Ferrocenyl Metalloligands and Their Transition Metal Complexes
Eur. J. Inorg. Chem. 2022, e202100
DOI: 10.1002/ejic.202100898
D. Bumüller, A. G. Yohannes, S. Kohaut, I. Kondov, M. M. Kappes, K. Fink, D. Schooss,
Structures of Small Platinum Cluster Anions Pt $_{n}$ $^{-}$ : Experiment and Theory
J. Phys. Chem. A 126, 3502–3510 (2022).
DOI:10.1021/acs.jpca.2c02142
T. Bodenstein, K. Fink, A. Heimermann, C. van Wüllen
Development and application of a complete active space spin-orbit configuration interaction program designed for molecule magnets.
First published: 10 September 2021 DOI: 10.1002/cphc.202100648
R. F. Pfleger, S. Schlittenhardt, M. P. Merkel, M. Ruben, C. E. Anson, J. Bendix, A. Powell, K. Fink
Terminal ligand and packing effects on slow relaxation in an isostructural set of [Dy(H2dapp)X2]+ Single Molecule Magnets.
First published: 01 October 2021 DOI:10.1002/chem.202102918
M. Dahlen, N. Reinfandt,C. Jin, M. T. Gamer, K. Fink, P. W. Roesky,
Hetero-bimetallic Lanthanide-Coinage Metal Compounds Featuring Possible Metal-Metal Interactions in the Excited State.
Chemistry - A European Journal. (2021) DOI:10.1002/chem.202102430
K. Fink, S. Höfener
Combining wavefunction frozen-density embedding with one-dimensional periodicity.
Journal of Chemical Physics, 154 (10), Art.-Nr.: 104114. (2021) DOI:10.1063/5.0041501
A. H. Basher, M. Krstić, K. Fink, T. Ito, K. Karahashi, W. Wenzel, S. Hamaguchi
Erratum: “Formation and desorption of nickel hexafluoroacetylacetonate Ni(hfac)2 on a nickel oxide surface in atomic layer etching processes” [J. Vac. Sci. Technol. A 38, 052602 (2020)].
Journal of vacuum science & technology / A, 39 (5), Art.-Nr.: 057001. (2021) DOI:10.1116/6.0001319
G. Peng, Y. Qian, Z. Wang, Y. Chen, T. Yadav, K. Fink, X. Ren
Tuning the Coordination Geometry and Magnetic Relaxation of Co(II) Single-Ion Magnets by Varying the Ligand Substitutions.
Crystal growth & design, 21 (2), 1035–1044 (2021). DOI:10.1021/acs.cgd.0c01372
A. H. Basher, M. Krstić, K. Fink, T. Ito, K. Karahashi, W. Wenzel, S. Hamaguchi
Formation and desorption of nickel hexafluoroacetylacetonate Ni(hfac)2 on a nickel oxide surface in atomic layer etching processes.
Journal of vacuum science & technology / A, 38 (5), 052602 (2020). DOI:10.1116/6.0000293
J. Rinck, J. A. Kitchen, A.B. Carter, Y. Lan, C. E. Anson, K. Fink, S. Brooker, A. K. Powell
Di- and Tri-nuclear VIII and CrIII Complexes of Dipyridyltriazoles: Ligand Rearrangements, Mixed Valency and Ferromagnetic Coupling.
Frontiers in Chemistry, 8, 540. (2020) DOI:10.3389/fchem.2020.00540
S. Kohaut, T. Rapps, K. Fink, D. Schooss
Structural Evolution of Palladium Clusters Pd₅₅^––Pd₁₄₇^–: Transition to the Bulk
J. Phys. Chem. A 123, 10940 (2019). DOI:10.1021/acs.jpca.9b09369
M. He, X. Chen, T. Bodenstein, A. Nyvang, S. F. M. Schmidt, Y. Peng, E. Moreno-Pineda, M. Ruben, K. Fink, M. T. Gamer, A. K. Powell, P. W. Roesky
Enantiopure Benzamidinate/Cyclooctatetraene Complexes of the Rare-Earth Elements: Synthesis, Structure, and Magnetism
Organometallics, 37, 3708 (2018). DOI: 10.1021/acs.organomet.8b00412
C. Bizzarri, A. P. Arndt, S. Kohaut, K. Fink, M. Nieger
Mononuclear and dinuclear heteroleptic Cu(I) complexes based on pyridyl-triazole and DPEPhos with long-lived excited-state lifetimes
J. Organometallic Chem. 871, 140 (2018). Doi:10.1016/j.jorganchem.2018.07.013
H. Li, K. Karahashi, P. Friederich, K. Fink, M. Fukasawa, A. Hirata, K. Nagahata, T. Tatsumi, W. Wenzel, S. Hamaguchi
Enhanced etching of tin-doped indium oxide due to surface modification by hydrogen ion injection
Japan. J. Appl. Phys, 57, 06JC05 (2018). DOI: 10.7567/JJAP.57.06JC05
P. Jäger, K. Brendle, E. Schneider, S. Kohaut, M. K. Armbruster, K. Fink, P. Weis, M. M. Kappes
Photodissociation of Free Metalloporphyrin Dimer Multianions
J. Phys. Chem. A 122, 2974-2982 (2018), DOI: 10.1021/acs.jpca.8b00641
T. Archipov, J. K. Kirkland, K. D. Vogiatzis, A. Steiner, G. Niedner-Schatteburg, P. Weis, K. Fink, O. Hampe, M. M. Kappes
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
J. Phys. Chem. A 122, 4357-4365 (2018), DOI: 10.1021/acs.jpca.8b01715
S. A. Müller, D. Degler, C. Feldmann, M. Türk, R. Moos, K. Fink, F. Studt, D. Gerthsen, N. Barsan, J.-D. Grunwaldt
Exploiting Synergies in Catalysis and Gas Sensing using Noble Metal-Loaded Oxide Composites
Chemcatchem 10, 864-880 (2018), DOI: 10.1002/cctc.201701545
S. Schwaminger, S. A. Blank-Shim, M. Borkowska-Panek, P. Anand, P. Fraga-García, K. Fink, W. Wenzel, S. Berensmeier
Experimental characterization and simulation of amino acid and peptide interactions with inorganic materials
Engineering in Life Sciences 18, 84-100 (2018), DOI: 10.1002/elsc.201700019
S. A. Blank-Shim, S. P. Schwaminger, M. Borkowska-Panek, P. Anand, P. Yamin, P. Fraga-García, K. Fink, W. Wenzel, S. Berensmeier
Binding patterns of homo-peptides on bare magnetic nanoparticles: insights into environmental dependence
Sci. Rep. 7, 14047 (2017), DOI: 10.1038/s41598-017-13928-6
K. Müller, K. Fink, L. Schöttner, M. Koenig, L. Heinke, C. Wöll
Defects as Color Centers: The Apparent Color of Metal–Organic Frameworks Containing Cu2+-Based Paddle-Wheel Units
Appl. Mater. Interfaces, 9, 37463–37467 (2017), DOI: 10.1021/acsami.7b12045
Y. Peng, V. Mereacre, C. E. Anson, Y.-Q. Zhang, T. Bodenstein, K. Fink, A. K. Powell
Field-induced Co(II) SIMs with mer Directing Ligands but Ambiguous Coordination Geometry.
Inorg. Chem. 56, 6056–6066 (2017), DOI: 10.1021/acs.inorgchem.6b02743
A. Feyrer, M. K. Armbruster, K. Fink, F. Breher
Metal Complexes of a Redox-Active [1]Phosphaferrocenophane: Structures, Electrochemistry and Redox-Switchable Catalysis
Chem. Eur. J. 2017, 7402–7408, (2017), DOI: 10.1002/chem.201700868
H. Li, K. Karahashi, P. Friederich, K. Fink, M. Fukasawa, A. Hirata, K. Nagahata, T. Tatsumi, W. Wenzel, S. Hamaguchia
Effects of hydrogen ion irradiation on zinc oxide etching
Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films 35, 05C303 (2017), DOI: 10.1116/1.4982715
Y. Peng, T. Bodenstein, K. Fink, V. Mereacre, C. Anson, A. Powell
Magnetic anisotropy of a CoII Single Ion Magnet with distorted trigonal prismatic coordination: Theory and Experiment
Phys. Chem. Chem. Phys. 18, 30135 (2016), DOI: 10.1039/C6CP03157A
S. Dasgupta, B. Das, Q. Li, D. Wang, T. T. Baby, S. Indris, M. Knapp, H. Ehrenberg, K. Fink, R. Kruk, H. Hahn
Towards on-and-off magnetism: reversible electrochemistry to control magnetic phase transitions in spinel ferrites
Adv. Func. Mat. 26, 7507 (2016) DOI: 10.1002/adfm.201603411
B. Schäfer, J.-F. Greisch, I. Faus, T. Bodenstein, I. Šalitroš, O. Fuhr, K. Fink, V. Schünemann, M. M. Kappes, M. Ruben
Divergent coordination chemistry – parallel synthesis of [2x2] Fe(II) grid-complex tauto-conformers
Angew. Chem. Int. Ed. 55, 10881 (2016) DOI: 10.1002/anie.201603916
P. Jäger, K. Brendle, U. Schwarz, M. Himmelsbach, M. K. Armbruster, K. Fink, P. Weis, M. M. Kappes
Q and Soret band photoexcitation of isolated Palladium Porphyrin Tetraanions leads to delayed emission of nonthermal electrons over microsecond time scales
J. Phys. Chem. Lett. 7, 1167 (2016), DOI: 10.1021/acs.jpclett.6b00407
N. Leblanc, S. Sproules, K. Fink, L. Sanguinet, O. Alévêque, E. Levillain, P. Rosad, A. K. Powell
A fascinating multifaceted redox-active chelating ligand: introducing the N,N’-dimethyl-3,3’-biquinoxalinium “methylbiquinoxen” platform
Chem. Sci. 7, 3820 (2016), DOI: 10.1039/c5sc04904k
M. Buchholz, M. Xu, H. Noei, P. Weidler, A. Nefedov, K. Fink, Y. Wang, C. Wöll
Interaction of carboxylic acids with rutile TiO2(110): IR-investigations of terephthalic and benzoic acid adsorbed on a single crystal substrate
Surf. Sci. 643, 117 (2016), DOI: 10.1016/j.susc.2015.08.006
W. Lin, T. Bodenstein, V. Mereacre, K. Fink, A. Eichhöfer
Field-Induced Slow Magnetic Relaxation in the Ni(I) Complexes [NiCl(PPh3)2]·C4H8O and [Ni(N(SiMe3)2)(PPh3)2].
Inorg. Chem. 55, 2091 (2016), DOI: 10.1021/acs.inorgchem.5b02497
X. Zhao, Q. Li, T. Yu, M. Yang, K. Fink, X. Shen
Carbon incorporation effects and reaction mechanism of FeOCl cathode materials for chloride ion batteries
Sci. Rep. 6, 19448 (2016), DOI: 10.1038/srep19448
D. Chaudhuri, G. Lefkidis, A. Kubas, K. Fink, W. Hübner
Effect of the Variation of the Bond Length on Laser-Induced Spin-Flip Scenarios at Ni2
Springer Proc. Phys. 159, 159 (2015)
Z. G. Gu, L. Heinke, C. Wöll, T. Neumann, W. Wenzel, Q. Li, K. Fink, O. D. Gordan, D. R. T. Zahn
Experimental and theoretical investigations of the electronic band structure of metal-organic frameworks of HKUST-1 type
Appl. Phys. Lett. 107, 183301 (2015), DOI: 10.1063/1.4934737
A. Mavrandonakis, K. D. Vogiatzis, A. D. Boese, K. Fink, T. Heine, W. Klopper
Ab initio study of the adsorption of small molecules on metal–organic frameworks with oxo-centred trimetallic building units: The role of the undercoordinated metal ion
Inorg. Chem. 54, 8251 (2015), DOI: :10.1021/acs.inorgchem.5b00689
T. Bodenstein, K. Fink
Ab initio calculations on the magnetic properties of transition metal complexes
AIP Conf. Proc. 1702, 090011 (2015), DOI: 10.1063/1.4938819
J. Meyer, S. González-Gallardo, S. Hohnstein, D. Garnier, M. K. Armbruster, K. Fink, W. Klopper, F. Breher
Tris(3,5-dimethylpyrazolyl)methane-Based Heterobimetallic Complexes that Contain Zn- and Cd-Transition-Metal Bonds: Synthesis, Structures, and Quantum Chemical Calculations.
Chem. Eur. J. 21, 2905–2914. (2015), Doi: 10.1002/chem.201405397
F. Völcker, F. M. Mück, K. D. Vogiatzis, K. Fink, P. W. Roesky
Bi- and trimetallic rare-earth–palladium complexes ligated by phosphinoamides
Chem. Commun. 51, 11761-11764 (2015), Doi: 10.1039/C5CC03944D
F. Symalla, S. Shallcross, I. Beljakov, K. Fink, W. Wenzel, V. Meded
Band-gap engineering with a twist: Formation of intercalant superlattices in twisted graphene bilayers
Phys. Rev. B 91, 205412 (2015), DOI: 10.1103/PhysRevB.91.205412
T. Tietze, P. Audehm, Y-C. Chen, G. Schütz, B. B. Straumal, S. G. Protasova, A. A. Mazilkin, P. B. Straumal, T. Prokscha, H. Luetkens, Z. Salman, A. Suter, B. Baretzky, K. Fink, W. Wenzel, D. Danilov, E. Goering
Interfacial dominated ferromagnetism in nanograined ZnO: a mu SR and DFT study
Scientific Rep. 5, 10769 (2015), Doi: 10.1038/srep10769
M. Buchholz, Q. Li, H. Noei, A. Nefedov, Y. Wang, M. Muhler, K. Fink, C. Wöll
The interaction of formic acid with zinc oxide: A combined experimental and theoretical study on single crystal and powder samples.
Topics in Catalysis, 58, 174-183 (2015), Doi:10.1007/s11244-014-0356-7
X. Zhao, Q. Li, Z. Zhao-Karger, P. Gao, K. Fink, X. Shen, M. Fichtner
Magnesium anode for cloride ion batteries.
ACS Applied Materials and Interfaces, 6 10997-11000 (2014), Doi:10.1021/am503079e
A. Eichhöfer, V. Andrushko, T. Bodenstein, K. Fink
Trinuclear Early-Late Transition Metal Thiolate Complexes.
Eur. J. Inorg. Chem. 22, 3510-3520 (2014), DOI: 10.1002/ejic.201402069
I. Beljakov, V. Meded, F. Symalla , K. Fink, S. Shallcross , M. Ruben, W. Wenzel
Spin-Crossover and Massive Anisotropy Switching of 5d Transition Metal Atoms on Graphene Nanoflakes
Nano Lett. 14, 3364-3368 (2014), DOI: 10.1021/nl500872c
Cu(II)- and Mn(III)-Porphyrin-Derived Oligomeric Multianions: Structures and Photoelectron Spectra
U. Schwarz, M. Vonderach, M. K. Armbruster, K. Fink, M. M. Kappes, P. Weis
J. Phys. Chem. A 2014, 118, 369–379, DOI: 10.1021/jp411149e
K. Fink, V. Staemmler
A modified CAS-CI approach for an efficient calculation of magnetic exchange coupling constants
Mol. Phys., 111, 2594 (2013), DOI: 10.1080/00268976.2013.804961
I. Beljakov, V. Meded, F. Symalla, K. Fink, S. Shallcross, W. Wenzel
Magnetic anisotropy of graphene quantum dots decorated with a ruthenium adatom
Beilstein J. Nanotechnol. 4, 441 (2013), DOI: 10.3762/bjnano.4.51
S. Wagner, F. Kisslinger, S. Ballmann, F. Schramm, R. Chandrasekar, T. Bodenstein, O. Fuhr, D. Secker, K. Fink, M. Ruben, H. B. Weber
Switching of a coupled spin pair in a single-molecule junction
Nature Nanotechnology 8, 575 (2013) DOI:10.1038/nnano.2013.133
M. Lukas, K. Dossel, A. Schramm, O. Fuhr, C. Stroh, M. Mayor, K. Fink, H. v. Lohneysen
A Tripodal Molecule on a Gold Surface: Orientation-Dependent Coupling and Electronic Properties of the Molecular Legs
ACS Nano, 7, 6170–6180 (2013), DOI: 10.1021/nn4020505
M. Lukas, V. Meded, A. Vijayaraghavan, L. Song, P. M. Ajayan, K. Fink, W. Wenzel, R. Krupke
Catalytic subsurface etching of nanoscale channels in graphite
NATURE COMMUNICATIONS 4:1379 (2013), DOI: 10.1038/ncomms2399
L. Greb, P. Ona-Burgos, A. Kubas, F. C. Falk, F. Breher, K. Fink, J. Paradies,
[2.2]Paracyclophane derived bisphosphines for the activation of hydrogen by FLPs: application in domino hydrosilylation/hydrogenation of enones
Dalton Trans. 41, 9056 (2012)
A. Kubas, S. Bräse, K. Fink
Theoretical Approach Towards the Understanding of Asymmetric Additions of Dialkylzinc to Enals and Iminals Catalysed by [2.2]Paracyclophane-Based N,O-Ligands
Chemistry-A European Journal 18, 8377 (2012).
C. Barth, D. Jakubczyk, A. Kubas, F. Anastassacos, G. Brenner-Weiss, K. Fink, U. Schepers, S. Braese, P. Koelsch
Interkingdom Signaling: Integration, Conformation, and Orientation of N-Acyl-L-homoserine Lactones in Supported Lipid Bilayers
Langmuir 28, 8456 (2012)
D. Jakubczyk, C. Barth, A. Kubas, F. Anastassacos, P. Koelsch, K. Fink, U. Schepers, G. Brenner-Weiß, S. Bräse,
Deuterium labelled N-acyl-L-homoserine lactones (AHLs) - Inter-kingdom signalling molecules - synthesis, structural studies, and interaction with model lipid membranes
Analyt. Bioanalyt. Chem. 403, 473 (2012).
M. Xu, H. Noei, K. Fink, M. Muhler, Y. Wang, C. Wöll
Anwendung des oberflächenwissenschaftlichen Ansatzes auf Reaktionen an Oxidpulvern: die Bedeutung der IR-Spektroskopie
Angew. Chem. 124, pages 4810 (2012)

The Surface Science Approach for Understanding Reactions on Oxide Powders: The Importance of IR Spectroscopy
Angew. Chem. Int. Ed. 51, 4731 (2012).
A. Langner, S. Tait, N. A. Lin, R. Chandrasekar, V. Meded, K. Fink, M. Ruben, K. Kern,
Selective Coordination Bonding in Metallo-Supramolecular Systems on Surfaces
Angew. Chem. Int. Ed. 51, 4327 (2012).
K. D. Vogiatzis, W. Klopper, A. Mavrandonakis, and K. Fink
Theoretical study on the magnetic properties of paddlewheels and trinuclear clusters with exposed metal sites,
ChemPhysChem 12, 3307-3319 (2011), Chem. Phys. Chem. DOI: 10.1002/cphc.201100559
A. Paul, M. Kubicki, A. Kubas, C. Jelsch, K. Fink, C. Lecomte,
Charge Density Analysis of 2-Methyl-4-nitro-1-phenyl-1H-imidazole-5-carbonitrile: An Experimental and Theoretical Study of CN•••CN Interactions,
J. Phys. Chem. A, 115, 12941 (2011)
C. Schrenk, A. Kubas, K. Fink, A. Schnepf
[Sn₄Si{Si(SiMe₃)₃}₄(SiMe₃)₂]: eine Modellverbindung für den unerwarteten Übergang erster Ordnung eines Singulett-Biradikaloids zu einem klassisch gebundenen System
Angew. Chem., 123: 7411 (2011)

[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
Angew. Chem. Int. Ed. 50, 7273 (2011)
A. Kubas, J. Hartung, K. Fink
How molecular oxygen binds to bis[trifluoroacetylacetonato(–1)]cobalt(II) – ab initio and density functional theory studies.
Dalton Trans., 40, 11289 (2011)
A. Eichhöfer, G. Buth, F. Dolci, K. Fink, R. A. Mole, P. T. Wood
Homoleptic 1-D Iron Selenolate Complexes - Synthesis, Structure, Magnetic and Thermal Behaviour of [Fe(SeR)2] (R = Ph, Mes)
Dalton Trans. 40, 7022 (2011)
V. Meded, A. Bagrets, K. Fink, R. Chandrasekhar, M. Ruben, F. Evers, A. Bernand-Mantel, J. S. Seldenthuis, A. Beukman,
H. S. J. van der Zant
Electrical control over the Fe(II) spin transition in a single molecule: Theory and experiment
Phys. Rev. B 83, 245415 (2011)
K. von Haeften, T. Laarmann, H. Wabnitz, T. Möller, K. Fink
Size and isotope effects of helium clusters and droplets: identification of surface and bulk-volume excitations
J. Phys. Chem. A 115, 7316 (2011)
F. Klappenberger, D. Kühne, M. Marschall, S. Neppl, W. Krenner, A. Nefedov, T. Strunskus, K. Fink, C. Wöll, S. Klyatskaya, O. Fuhr, M. Ruben, J. V. Barth
Uniform pi-System Alignment in Thin Films of Template-Grown Dicarbonitrile-Oligophenyls
Adv. Func. Mat. 21, 1631 (2011)
C. Schenk, A. Kracke, K. Fink, A. Kubas, W. Klopper, M. Neumaier, H. Schnöckel, A. Schnepf,
“The Formal Combination of Three Singlet Biradicaloid Entities to a Singlet Hexaradicaloid Metalloid Ge14[Si(SiMe3)3]5Li3(THF)6 Cluster.”
J. Am. Chem. Soc. 133, 2518 (2011)
S. Ay, R. E. Ziegert, H. Zhang, M. Nieger, K. Rissanen, K. Fink, A. Kubas, R. M. Gschwind, S. Bräse
NMR-spectroscopic and solid-state investigations of cometal-free asymmetric conjugate addition: the first dinuclear paracyclophaneimine-Zinc-methyl complex
J. Am. Chem. Soc. 132, 12899 (2010)
A. E. Patrakov, R. F. Fink, K. Fink, T. C. Schmidt, B. Engels
Density-functional study on the migration of Cd and Te adsorbates on the (001) surface of CdTe,
Phys. Stat. Sol. B 247, 937 (2010)
D. Coucouvanis, A. R. Paital, Q. Zhang, N. Lehnert, R. Ahlrichs, K. Fink, D. Fenske, A. K. Powell, Y. Lan
Synthesis, electronic structure, and structural characterization of the new ‚non-innocent’ 4,5-dithio-catecholate ligands, ist metal complexes, and their oxidized 4,5-dithio-o-quinone derivatives,
Inorg. Chem. 48, 8830 (2009)
I. Schmitt, K. Fink, V. Staemmler
The method of local increments for the calculation of adsorption energies of atoms and small molecules on solid surfaces. I. A single Cu atom on the polar surfaces of ZnO,
Phys. Chem. Chem. Phys. 11, 11196 (2009)
A. Eichhöfer, J. Olkowska–Oetzela, V. Mereacre, K. Fink, D. Fenske, A. Powell
Synthesis and Structure of an `Iron doped´ Copper Selenide Cluster Molecule [Cu30Fe2Se6(SePh)24(dppm)4],
Inorganic Chemistry 48, 8977 (2009)
F. Schramm, V. Meded, H. Fliegl, K. Fink, O. Fuhr, Z. Qu, W. Klopper, S. Finn, T. E. Keyes, M. Ruben,
Expanding the coordination cage: A ruthenium (II)-polypyridine complex exhibiting extremely high room temperature quantum yields under ambient conditions,
Inorg. Chem. 48, 5677 (2009)
H. Fliegl, K. Fink, W. Klopper, C. E. Anson, A. K. Powell, R. Clérac,
Ab-initio study of the magnetic exchange coupling constants of a structural model of the oxygen evolving center in photosystem II,
Phys. Chem. Chem. Phys. 11, 3900 (2009)
I. Hegemann, A. Schwaebe, K. Fink
Adsorption of single Cu atoms at differently stabilised polar ZnO surfaces: an ab initio study
J. Comp. Chem. 29, 2302 (2008)
K. Merz, M. Moreno, E. Löffler, L. Khodeir, A. Rittermeier, K. Fink, K. Kotsis, M. Muhler, M. Driess
Lithium-Promoted Hydrogenation of Carbon Dioxide to Formates by Heterobimetallic Hydridozinc Alkoxide Clusters
Chem. Commun.,73 (2008)
A. E. Patrakov, R. F. Fink, K. Fink, B. Engels
Model computations for Cd adsorption on the (001) surface of CdTe
phys. stat. sol. (c) 4, 3191 (2007)
K. von Haeften, K. Fink
A quantum chemical approach towards the electronically excited states of helium clusters
Eur. Phys. J. D43, 121 (2007)
O. Hübner, K. Fink, W. Klopper
The spin coupling in the diiron complex [Fe-2(hpdta)(H2O)(3)Cl]
Phys. Chem. Chem. Phys. 9, 1911 (2007)
K. Fink
Ab initio cluster calculations on the electronic structure of oxygen vacancies at the polar ZnO(000-1) surface and on the adsorption of H2,CO, and CO2 at these sites
Phys. Chem. Chem. Phys. 8, 1482 (2006)
K. Fink
Ab initio cluster calculations of the magnetic properties of ZnO doped with transition metal ions
Chem. Phys. 326, 297 (2006)
V. Ischenko, S. Polarz, D. Grote, V. Stavarache, K. Fink, M. Driess
ZnO nanoparticles with defects
Adv. Funct. Mater. 15, 1945 (2005)
K. Fink
Ab initio cluster calculations for the absorption energies of F and F+ centers in bulk ZnO
Phys. Chem. Chem. Phys. 7, 2999 (2005)
M. Kurtz, J. Strunk, O. Hinrichsen, M. Muhler, K. Fink, B. Meyer, Ch. Wöll
Aktive Zentren an Oxidoberflächen: Die ZnO-katalysierte Methanol-synthese
Angew. Chem. 117, 2850 (2005)
N. Doltsinis, K. Fink
Comment on: Excitations in photoactive molecules from quantum Monte Carlo [J. Chem. Phys. 121, 5836 (2004)]
J. Chem. Phys. 122, 087101 (2005)
V. Staemmler, K. Fink, B. Meyer, D. Marx, M. Kunat, S. Gil Girol, U. Burghaus, Ch. Wöll
Stabilization of Polar ZnO Surfaces: Validating Microscopic Models by Using CO as a Probe Molecule
Phys. Rev. Lett. 90, 106102 (2003)
S. Shi, Ch. Shi, K. Fink, V. Staemmler
An ab initio study of the adsorption of CO on a Zn4O4 cluster with wurtzite-like structure
Chem. Phys. 287, 183 (2003)
V. Staemmler, K. Fink
An ab initio Cluster Study of the Magnetic Properties of the CoO(0001) Surface
Chem. Phys. 278, 79 (2002)
Ch. Kolczewski, K. Fink, V. Staemmler
Ab initio Calculation of the Magnetic Exchange Coupling in Linear Oxo-Bridged Heterobinuclear Complexes of Titanium (III),
Vanadium (III), and Chromium (III)
Int. J. Quantum Chem. 76, 137 (2000)
K. Fink, C. Wang, V. Staemmler
Superexchange and Spin-Orbit Coupling in Chlorine-Bridged Binuclear Cobalt (II) Complexes
Inorg. Chem. 38, 3847 (1999)
K. Fink, C. Wang, V. Staemmler
Ab initio Calculations of the Magnetic Exchange Coupling in Sulfur-Bridged Binuclear Ni(II) Complexes
Int. J. Quantum Chem. 65, 633 (1997)
Ch. Kolczewski, K. Fink, V. Staemmler, L. Neitsch
Ab initio Calculation of Potential Energy Surfaces for the Three Lowest Triplet States (13A’’, 13A’, 23A’’) of PH(X,A)-He
J. Chem. Phys. 106, 7637 (1997)
J. Klinkmann, D. Cappus, K. Homann, T. Risse, A. Sandell, T. Porwol, H.-J. Freund, K. Fink, R. Fink, V. Staemmler
Autoionization Spectroscopy of CO on Metal Oxide Surfaces
J. Elec. Spectr. Relat. Phenom. 77, 155 (1996)
C. Wang, K. Fink, V. Staemmler
An ab initio Study of the Geometry Dependence of the Magnetic Exchange Coupling in Oxo-Bridged Binuclear
Chromium (III) Complexes
Chem. Phys. 201, 87 (1995)
K. Fink, V. Staemmler
Ab initio Calculations of the van der Waals Interactions in One- and Two-Dimensional Infinite Periodic Systems
J. Chem. Phys. 103, 2603 (1995)
C. Wang, K. Fink, V. Staemmler
A Quantum Chemical ab initio Study of the Superexchange Coupling in Binuclear Oxygen-Bridged Ni(II) Complexes
Chem. Phys. 192, 25 (1995)
K. Fink, R. Fink, V. Staemmler
Ab Initio Calculation of the Magnetic Exchange Coupling in Linear Oxo-Bridged Binuclear Complexes of Titanium (III),
Vanadium (III), and Chromium (III)
Inorg. Chem. 33, 6219 (1994)
K. Hegemann, V. Staemmler, R. Fink
Quantum Chemical ab initio Calculations for Excited States of F IV
Z. Phys. D 27, 211 (1993)

Other publications

T. Bodenstein, K. Fink
Theoretische Chemie 2016: Quantenchemie für Einzelmolekülmagnete
Nachrichten aus der Chemie, 65, 339-342 (2017),
DOI: 10.1002/nadc.20174060613