Reinhold F. Fink
Reinhold F. Fink
Professor of Theoretical Chemistry, University of Tubingen
Email verificata su uni-tuebingen.de - Home page
TitoloCitata daAnno
Wiley Interdiscip
S Grimme, L Goerigk, RF Fink
Rev.: Comput. Mol. Sci 1 (2), 211, 2011
454*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
2592008
A multi-configuration reference CEPA method based on pair natural orbitals
R Fink, V Staemmler
Theoretica chimica acta 87 (1-2), 129-145, 1993
2151993
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
1242007
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
1182001
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
1072013
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
1072011
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
1021994
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
962009
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
881999
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
772005
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
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
682010
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
601997
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
592008
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
552012
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
501998
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
492008
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
491998
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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