| Optimized accurate auxiliary basis sets for RI-MP2 and RI-CC2 calculations for the atoms Rb to Rn A Hellweg, C Hättig, S Höfener, W Klopper Theoretical Chemistry Accounts 117 (4), 587-597, 2007 | 947 | 2007 |
| The MP2‐F12 method in the TURBOMOLE program package RA Bachorz, FA Bischoff, A Glöß, C Hättig, S Höfener, W Klopper, DP Tew Journal of computational chemistry 32 (11), 2492-2513, 2011 | 134 | 2011 |
| Molecular properties via a subsystem density functional theory formulation: A common framework for electronic embedding S Höfener, A Severo Pereira Gomes, L Visscher The Journal of chemical physics 136 (4), 044104, 2012 | 121 | 2012 |
| Scope and limitations of the SCS-MP2 method for stacking and hydrogen bonding interactions RA Bachorz, FA Bischoff, S Höfener, W Klopper, P Ottiger, R Leist, JA Frey, ... Physical Chemistry Chemical Physics 10 (19), 2758-2766, 2008 | 104 | 2008 |
| Solvatochromic shifts from coupled-cluster theory embedded in density functional theory S Höfener, ASP Gomes, L Visscher The Journal of chemical physics 139 (10), 104106, 2013 | 70 | 2013 |
| Fluorescence behavior of (selected) flavonols: a combined experimental and computational study S Höfener, PC Kooijman, J Groen, F Ariese, L Visscher Physical Chemistry Chemical Physics 15 (30), 12572-12581, 2013 | 70 | 2013 |
| Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexes BM Bold, M Sokolov, S Maity, M Wanko, PM Dohmen, JJ Kranz, ... Physical Chemistry Chemical Physics 22 (19), 10500-10518, 2020 | 62 | 2020 |
| Coupled‐cluster frozen‐density embedding using resolution of the identity methods S Höfener Journal of computational chemistry 35 (23), 1716-1724, 2014 | 59 | 2014 |
| Calculation of electronic excitations using wave-function in wave-function frozen-density embedding S Höfener, L Visscher The Journal of Chemical Physics 137 (20), 204120, 2012 | 58 | 2012 |
| Slater-type geminals in explicitly-correlated perturbation theory: application to n-alkanols and analysis of errors and basis-set requirements S Höfener, FA Bischoff, A Glöß, W Klopper Physical Chemistry Chemical Physics 10 (23), 3390-3399, 2008 | 47 | 2008 |
| Effects of counterpoise correction and basis set extrapolation on the MP2 geometries of hydrogen bonded dimers of ammonia, water, and hydrogen fluoride AD Boese, G Jansen, M Torheyden, S Höfener, W Klopper Physical Chemistry Chemical Physics 13 (3), 1230-1238, 2011 | 46 | 2011 |
| Wave Function Frozen-Density Embedding: Coupled Excitations S Hofener, L Visscher Journal of chemical theory and computation 12 (2), 549-557, 2016 | 44 | 2016 |
| Explicitly correlated second-order perturbation theory calculations on molecules containing heavy main-group elements FA Bischoff, S Höfener, A Glöß, W Klopper Theoretical Chemistry Accounts 121 (1), 11-19, 2008 | 37 | 2008 |
| Natural transition orbitals for the calculation of correlation and excitation energies S Höfener, W Klopper Chemical Physics Letters 679, 52-59, 2017 | 35 | 2017 |
| The geminal basis in explicitly correlated wave functions S Höfener, DP Tew, W Klopper, T Helgaker Chemical Physics 356 (1-3), 25-30, 2009 | 33 | 2009 |
| Numerically accurate linear response-properties in the configuration-interaction singles (CIS) approximation JS Kottmann, S Höfener, FA Bischoff Physical Chemistry Chemical Physics 17 (47), 31453-31462, 2015 | 31 | 2015 |
| Analytical nuclear gradients of the explicitly correlated Møller–Plesset second-order energy S Höfener, W Klopper Molecular Physics 108 (13), 1783-1796, 2010 | 30 | 2010 |
| Origin of the Argon Nanocoating Shift in the OH Stretching Fundamental of n-Propanol: A Combined Experimental and Quantum Chemical Study JJ Lee, S Höfener, W Klopper, TN Wassermann, MA Suhm The Journal of Physical Chemistry C 113 (25), 10929-10938, 2009 | 29 | 2009 |
| Analytical Time-Dependent Long-Range Corrected Density Functional Tight Binding (TD-LC-DFTB) Gradients in DFTB+: Implementation and Benchmark for Excited-State Geometries and … M Sokolov, BM Bold, JJ Kranz, S Höfener, TA Niehaus, M Elstner Journal of Chemical Theory and Computation 17 (4), 2266-2282, 2021 | 28 | 2021 |
| Computing UV/vis spectra using a combined molecular dynamics and quantum chemistry approach: bis-triazin-pyridine (BTP) ligands studied in solution S Höfener, M Trumm, C Koke, J Heuser, U Ekström, A Skerencak-Frech, ... Physical Chemistry Chemical Physics 18 (11), 7728-7736, 2016 | 28 | 2016 |
Wim KlopperProfessor für Theoretische Chemie, Karlsruher Institut für TechnologieVerified email at kit.edu
