Reinhold F. Fink
Reinhold F. Fink
Professor of Theoretical Chemistry, University of Tubingen
Verifierad e-postadress på uni-tuebingen.de - Startsida
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S Grimme, L Goerigk, RF Fink
Rev.: Comput. Mol. Sci 1 (2), 211, 2011
482*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
2662008
A multi-configuration reference CEPA method based on pair natural orbitals
R Fink, V Staemmler
Theoretica chimica acta 87 (1-2), 129-145, 1993
2221993
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
1302007
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
1212001
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
1172011
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
1102013
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
1051994
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
982009
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
911999
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
872008
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
822005
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
702010
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
692011
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
611997
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
602008
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
572012
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
521998
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
502008
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
492016
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