| A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu S Grimme, J Antony, S Ehrlich, H Krieg The Journal of chemical physics 132 (15), 2010 | 48266 | 2010 |
| Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction S Grimme Journal of computational chemistry 27 (15), 1787-1799, 2006 | 30007 | 2006 |
| Effect of the damping function in dispersion corrected density functional theory S Grimme, S Ehrlich, L Goerigk Journal of computational chemistry 32 (7), 1456-1465, 2011 | 22049 | 2011 |
| Accurate description of van der Waals complexes by density functional theory including empirical corrections S Grimme Journal of computational chemistry 25 (12), 1463-1473, 2004 | 5710 | 2004 |
| Semiempirical hybrid density functional with perturbative second-order correlation S Grimme The Journal of chemical physics 124 (3), 2006 | 3571 | 2006 |
| Density functional theory with London dispersion corrections S Grimme Wiley Interdisciplinary Reviews: Computational Molecular Science 1 (2), 211-228, 2011 | 2921 | 2011 |
| GFN2-xTB—An accurate and broadly parametrized self-consistent tight-binding quantum chemical method with multipole electrostatics and density-dependent dispersion contributions C Bannwarth, S Ehlert, S Grimme Journal of chemical theory and computation 15 (3), 1652-1671, 2019 | 2655 | 2019 |
| A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions L Goerigk, S Grimme Physical Chemistry Chemical Physics 13 (14), 6670-6688, 2011 | 2049 | 2011 |
| Improved second-order Møller–Plesset perturbation theory by separate scaling of parallel-and antiparallel-spin pair correlation energies S Grimme The Journal of chemical physics 118 (20), 9095-9102, 2003 | 1998 | 2003 |
| Supramolecular binding thermodynamics by dispersion‐corrected density functional theory S Grimme Chemistry–A European Journal 18 (32), 9955-9964, 2012 | 1854 | 2012 |
| A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions L Goerigk, A Hansen, C Bauer, S Ehrlich, A Najibi, S Grimme Physical Chemistry Chemical Physics 19 (48), 32184-32215, 2017 | 1654 | 2017 |
| Automated exploration of the low-energy chemical space with fast quantum chemical methods P Pracht, F Bohle, S Grimme Physical Chemistry Chemical Physics 22 (14), 7169-7192, 2020 | 1583 | 2020 |
| A robust and accurate tight-binding quantum chemical method for structures, vibrational frequencies, and noncovalent interactions of large molecular systems parametrized for … S Grimme, C Bannwarth, P Shushkov Journal of chemical theory and computation 13 (5), 1989-2009, 2017 | 1569 | 2017 |
| Dispersion-corrected mean-field electronic structure methods S Grimme, A Hansen, JG Brandenburg, C Bannwarth Chemical reviews 116 (9), 5105-5154, 2016 | 1388 | 2016 |
| Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and … L Goerigk, S Grimme Journal of chemical theory and computation 7 (2), 291-309, 2011 | 1298 | 2011 |
| Do special noncovalent π–π stacking interactions really exist? S Grimme Angewandte Chemie International Edition 47 (18), 3430-3434, 2008 | 1256 | 2008 |
| Double-hybrid density functionals with long-range dispersion corrections: higher accuracy and extended applicability T Schwabe, S Grimme Physical Chemistry Chemical Physics 9 (26), 3397-3406, 2007 | 1174 | 2007 |
| Extended tight‐binding quantum chemistry methods C Bannwarth, E Caldeweyher, S Ehlert, A Hansen, P Pracht, J Seibert, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (2), e1493, 2021 | 1157 | 2021 |
| A generally applicable atomic-charge dependent London dispersion correction E Caldeweyher, S Ehlert, A Hansen, H Neugebauer, S Spicher, ... The Journal of chemical physics 150 (15), 2019 | 1097 | 2019 |
| Extension of the D3 dispersion coefficient model E Caldeweyher, C Bannwarth, S Grimme The Journal of chemical physics 147 (3), 2017 | 968 | 2017 |
