Reinhold F. Fink
Reinhold F. Fink
Professor of Theoretical Chemistry, University of Tubingen
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TitelCiteras avÅr
Wiley Interdiscip
S Grimme, L Goerigk, RF Fink
Rev.: Comput. Mol. Sci 1 (2), 211, 2011
Exciton trapping in π-conjugated materials: A quantum-chemistry-based protocol applied to perylene bisimide dye aggregates
RF Fink, J Seibt, V Engel, M Renz, M Kaupp, S Lochbrunner, HM Zhao, ...
Journal of the American Chemical Society 130 (39), 12858-12859, 2008
A multi-configuration reference CEPA method based on pair natural orbitals
R Fink, V Staemmler
Theoretica chimica acta 87 (1-2), 129-145, 1993
Effect of molecular packing on the exciton diffusion length in organic solar cells
SB Rim, RF Fink, JC Schöneboom, P Erk, P Peumans
Applied Physics Letters 91 (17), 173504, 2007
Evidence for ultra-fast dissociation of molecular water from resonant Auger spectroscopy
I Hjelte, MN Piancastelli, RF Fink, O Björneholm, M Bässler, R Feifel, ...
Chemical physics letters 334 (1-3), 151-158, 2001
Ultrafast exciton self-trapping upon geometry deformation in perylene-based molecular aggregates
A Schubert, V Settels, W Liu, F Würthner, C Meier, RF Fink, ...
The journal of physical chemistry letters 4 (5), 792-796, 2013
First-principles calculations of anisotropic charge-carrier mobilities in organic semiconductor crystals
V Stehr, J Pfister, RF Fink, B Engels, C Deibel
Physical Review B 83 (15), 155208, 2011
Ab Initio Calculation of the Magnetic Exchange Coupling in Linear Oxo-Bridged Binuclear Complexes of Titanium (III), Vanadium (III), and Chromium (III)
K Fink, R Fink, V Staemmler
Inorganic Chemistry 33 (26), 6219-6229, 1994
Understanding ground-and excited-state properties of perylene tetracarboxylic acid bisimide crystals by means of quantum chemical computations
HM Zhao, J Pfister, V Settels, M Renz, M Kaupp, VC Dehm, F Würthner, ...
Journal of the American Chemical Society 131 (43), 15660-15668, 2009
Vibrationally resolved O 1 s core-excitation spectra of CO and NO
R Püttner, I Dominguez, TJ Morgan, C Cisneros, RF Fink, E Rotenberg, ...
Physical Review A 59 (5), 3415, 1999
Assessment of quantum chemical methods and basis sets for excitation energy transfer
RF Fink, J Pfister, HM Zhao, B Engels
Chemical Physics 346 (1-3), 275-285, 2008
The electronic structure of free water clusters probed by Auger electron spectroscopy
G Öhrwall, RF Fink, M Tchaplyguine, L Ojamäe, M Lundwall, ...
The Journal of chemical physics 123 (5), 054310, 2005
Assessment of TD‐DFT‐and TD‐HF‐based approaches for the prediction of exciton coupling parameters, potential energy curves, and electronic characters of electronically excited …
W Liu, V Settels, PHP Harbach, A Dreuw, RF Fink, B Engels
Journal of computational chemistry 32 (9), 1971-1981, 2011
Spin-component-scaled Møller–Plesset (SCS-MP) perturbation theory: a generalization of the MP approach with improved properties
RF Fink
The Journal of chemical physics 133 (17), 174113, 2010
Vibrationally resolved decay spectra of CO at the C and O K-edges: experiment and theory
MN Piancastelli, M Neeb, A Kivimäki, B Kempgens, HM Köppe, K Maier, ...
Journal of Physics B: Atomic, Molecular and Optical Physics 30 (24), 5677, 1997
On the origin of the stabilization of the zwitterionic resting state of cysteine proteases: a theoretical study
M Mladenovic, RF Fink, W Thiel, T Schirmeister, B Engels
Journal of the American Chemical Society 130 (27), 8696-8705, 2008
Comparison of the electronic structure of different perylene‐based dye‐aggregates
V Settels, W Liu, J Pflaum, RF Fink, B Engels
Journal of computational chemistry 33 (18), 1544-1553, 2012
Adsorption of nitrogen on rutile (110): Ab initio cluster calculations
F Rittner, R Fink, B Boddenberg, V Staemmler
Physical Review B 57 (7), 4160, 1998
Ab initio configuration interaction description of excitation energy transfer between closely packed molecules
RF Fink, J Pfister, A Schneider, H Zhao, B Engels
Chemical Physics 343 (2-3), 353-361, 2008
Spin-orbit interaction and molecular-field effects in the L 2, 3 VV Auger-electron spectra of HCl
RF Fink, M Kivilompolo, H Aksela, S Aksela
Physical Review A 58 (3), 1988, 1998
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