| A transferable H-bonding correction for semiempirical quantum-chemical methods M Korth, M Pitonak, J Rezac, P Hobza Journal of chemical theory and computation 6 (1), 344-352, 2010 | 326 | 2010 |
| “Mindless” DFT benchmarking M Korth, S Grimme Journal of chemical theory and computation 5 (4), 993-1003, 2009 | 290 | 2009 |
| How to compute isomerization energies of organic molecules with quantum chemical methods S Grimme, M Steinmetz, M Korth The Journal of Organic Chemistry 72 (6), 2118-2126, 2007 | 285 | 2007 |
| Third-generation hydrogen-bonding corrections for semiempirical QM methods and force fields M Korth Journal of Chemical Theory and Computation 6 (12), 3808-3816, 2010 | 281 | 2010 |
| The Importance of Inter‐and Intramolecular van der Waals Interactions in Organic Reactions: the Dimerization of Anthracene Revisited S Grimme, C Diedrich, M Korth Angewandte Chemie 118 (4), 641-645, 2006 | 169 | 2006 |
| Benchmarking semiempirical methods for thermochemistry, kinetics, and noncovalent interactions: OMx methods are almost as accurate and robust as DFT-GGA methods for organic … M Korth, W Thiel Journal of chemical theory and computation 7 (9), 2929-2936, 2011 | 121 | 2011 |
| Large-scale virtual high-throughput screening for the identification of new battery electrolyte solvents: evaluation of electronic structure theory methods M Korth Physical Chemistry Chemical Physics 16 (17), 7919-7926, 2014 | 115 | 2014 |
| Stereoelectronic substituent effects in saturated main group molecules: severe problems of current Kohn− Sham density functional theory S Grimme, M Steinmetz, M Korth Journal of Chemical Theory and Computation 3 (1), 42-45, 2007 | 96 | 2007 |
| Toward new solvents for EDLCs: from computational screening to electrochemical validation C Schütter, T Husch, M Korth, A Balducci The Journal of Physical Chemistry C 119 (24), 13413-13424, 2015 | 82 | 2015 |
| Enhanced semiempirical QM methods for biomolecular interactions ND Yilmazer, M Korth Computational and structural biotechnology journal 13, 169-175, 2015 | 81 | 2015 |
| Impact of Selected LiPF6 Hydrolysis Products on the High Voltage Stability of Lithium-Ion Battery Cells R Wagner, M Korth, B Streipert, J Kasnatscheew, DR Gallus, S Brox, ... ACS applied materials & interfaces 8 (45), 30871-30878, 2016 | 79 | 2016 |
| Rational design of new electrolyte materials for electrochemical double layer capacitors C Schütter, T Husch, V Viswanathan, S Passerini, A Balducci, M Korth Journal of Power Sources 326, 541-548, 2016 | 73 | 2016 |
| Comparison of molecular mechanics, semi-empirical quantum mechanical, and density functional theory methods for scoring protein–ligand interactions ND Yilmazer, M Korth The Journal of Physical Chemistry B 117 (27), 8075-8084, 2013 | 73 | 2013 |
| Large-scale virtual high-throughput screening for the identification of new battery electrolyte solvents: computing infrastructure and collective properties T Husch, ND Yilmazer, A Balducci, M Korth Physical Chemistry Chemical Physics 17 (5), 3394-3401, 2015 | 71 | 2015 |
| Counterintuitive role of magnesium salts as effective electrolyte additives for high voltage lithium‐ion batteries R Wagner, B Streipert, V Kraft, A Reyes Jiménez, S Röser, ... Advanced Materials Interfaces 3 (15), 1600096, 2016 | 69 | 2016 |
| Density Functional Theory: Not Quite the Right Answer for the Right Reason Yet. M Korth Angewandte Chemie (International ed. in English) 56 (20), 5396-5398, 2017 | 63 | 2017 |
| A third-generation dispersion and third-generation hydrogen bonding corrected PM6 method: PM6-D3H+ JC Kromann, AS Christensen, C Steinmann, M Korth, JH Jensen PeerJ 2, e449, 2014 | 61 | 2014 |
| Charting the known chemical space for non-aqueous lithium–air battery electrolyte solvents T Husch, M Korth Physical Chemistry Chemical Physics 17 (35), 22596-22603, 2015 | 59 | 2015 |
| Toward the exact solution of the electronic Schrödinger equation for noncovalent molecular interactions: worldwide distributed quantum monte carlo calculations M Korth, A Lüchow, S Grimme The Journal of Physical Chemistry A 112 (10), 2104-2109, 2008 | 58 | 2008 |
| How to estimate solid-electrolyte-interphase features when screening electrolyte materials T Husch, M Korth Physical Chemistry Chemical Physics 17 (35), 22799-22808, 2015 | 40 | 2015 |
