| Wiley Interdiscip S Grimme, L Goerigk, RF Fink Rev.: Comput. Mol. Sci 1 (2), 211, 2011 | 753* | 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 | 354 | 2008 |
| A multi-configuration reference CEPA method based on pair natural orbitals R Fink, V Staemmler Theoretica chimica acta 87, 129-145, 1993 | 256 | 1993 |
| 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 | 165 | 2013 |
| 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 | 158 | 2007 |
| 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—Condensed Matter and Materials Physics 83 (15), 155208, 2011 | 155 | 2011 |
| 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 | 147 | 2001 |
| 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 | 128 | 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 | 125 | 1999 |
| 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 | 113 | 2017 |
| 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 | 113 | 1994 |
| 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 | 105 | 2016 |
| 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 | 100 | 2010 |
| 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 | 98 | 2005 |
| 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 | 92 | 2008 |
| 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 | 89 | 2011 |
| 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 | 85 | 2014 |
| 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 | 76 | 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 | 75 | 2012 |
| 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 | 74 | 2014 |
Bernd Engelsretired Professor, University of WürzburgVerified email at uni-wuerzburg.de
