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Reinhold F. Fink
Reinhold F. Fink
Professor of Theoretical Chemistry, University of Tubingen
Verified email at uni-tuebingen.de - Homepage
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Cited by
Cited by
Year
Wiley Interdiscip
S Grimme, L Goerigk, RF Fink
Rev.: Comput. Mol. Sci 1 (2), 211, 2011
840*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
3472008
A multi-configuration reference CEPA method based on pair natural orbitals
R Fink, V Staemmler
Theoretica chimica acta 87, 129-145, 1993
2541993
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
1602013
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), 2007
1542007
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
1532011
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
1462001
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
1262009
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
1221999
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
1131994
Heptacene: characterization in solution, in the solid state, and in films
R Einholz, T Fang, R Berger, P Grüninger, A Fruh, T Chasse, RF Fink, ...
Journal of the American Chemical Society 139 (12), 4435-4442, 2017
1082017
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), 2010
992010
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), 2005
972005
Molecular origin of the charge carrier mobility in small molecule organic semiconductors
P Friederich, V Meded, A Poschlad, T Neumann, V Rodin, V Stehr, ...
Advanced Functional Materials 26 (31), 5757-5763, 2016
952016
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
922008
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
882011
Singlet exciton diffusion in organic crystals based on Marcus transfer rates
V Stehr, RF Fink, B Engels, J Pflaum, C Deibel
Journal of Chemical Theory and Computation 10 (3), 1242-1255, 2014
802014
Identification of ultrafast relaxation processes as a major reason for inefficient exciton diffusion in perylene-based organic semiconductors
V Settels, A Schubert, M Tafipolski, W Liu, V Stehr, AK Topczak, J Pflaum, ...
Journal of the American Chemical Society 136 (26), 9327-9337, 2014
742014
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
742008
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
732012
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