1. 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
  2. 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

  3. 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

  4. 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
  5. 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
  6. D. Bumüller, A. G. Yohannes, S. Kohaut, I. Kondov, M. M. Kappes, K. Fink, D. Schooss,
    Structures of Small Platinum Cluster Anions Ptn: Experiment and Theory
    J. Phys. Chem. A 126, 3502–3510 (2022).

  7. 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
  8. 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
  9. 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
  10. 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
  11. 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
  12. 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
  13. 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
  14. 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
  15. 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
  16. 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
  17. 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
  18. 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
  19. 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 
  20. 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 
  21. 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
  22. 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
  23. 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
  24. 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
  25. 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
  26. 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
  27. 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
  28. 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
  29. 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
  30. 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
  31. 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
  32. 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
  33. 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
  34. 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
  35. 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
  36. 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)

  37. 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
  38. 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
  39. 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
  40. 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
  41. 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
  42. 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
  43. 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
  44. 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
  45. 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
  46. 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
  47. 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
  48. 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
  49. 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
  50. 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
  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
  52. 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
  53. 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
  54. 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)
  55. 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).
  56. 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)
  57. 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).
  58. 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).
  59. 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).
  60. 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
  61. 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)
  62. 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)
  63. 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)
  64. 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)
  65. 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)
  66. 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)
  67. 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)
  68. 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)
  69. 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)
  70. 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)
  71. 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)
  72. 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)
  73. 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)
  74. 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)
  75. 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)
  76. 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)
  77. 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)
  78. 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)
  79. K. von Haeften, K. Fink
    A quantum chemical approach towards the electronically excited states of helium clusters
    Eur. Phys. J. D43, 121 (2007)
  80. 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)
  81. 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)
  82. K. Fink
    Ab initio cluster calculations of the magnetic properties of ZnO doped with transition metal ions
    Chem. Phys. 326, 297 (2006)
  83. V. Ischenko, S. Polarz, D. Grote, V. Stavarache, K. Fink, M. Driess
    ZnO nanoparticles with defects
    Adv. Funct. Mater. 15, 1945 (2005)
  84. 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)
  85. 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)
  86. 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)
  87. 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)
  88. 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)
  89. V. Staemmler, K. Fink
    An ab initio Cluster Study of the Magnetic Properties of the CoO(0001) Surface
    Chem. Phys. 278, 79 (2002)
  90. 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)
  91. K. Fink, C. Wang, V. Staemmler
    Superexchange and Spin-Orbit Coupling in Chlorine-Bridged Binuclear Cobalt (II) Complexes
    Inorg. Chem. 38, 3847 (1999)
  92. 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)
  93. 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)
  94. 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)
  95. 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)
  96. 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)
  97. 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)
  98. 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)
  99. 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

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