| 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 | 22965 | 2011 |
| 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 | 2076 | 2011 |
| 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 | 1703 | 2017 |
| 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, 2010 | 1331 | 2010 |
| Why the Standard B3LYP/6-31G* Model Chemistry Should Not Be Used in DFT Calculations of Molecular Thermochemistry: Understanding and Correcting the Problem H Kruse, L Goerigk, S Grimme The Journal of organic chemistry 77 (23), 10824-10834, 2012 | 536 | 2012 |
| The mechanism of dihydrogen activation by frustrated Lewis pairs revisited S Grimme, H Kruse, L Goerigk, G Erker Angewandte Chemie International Edition 8 (49), 1402-1405, 2010 | 521* | 2010 |
| A General Database for Main Group Thermochemistry, Kinetics, and Noncovalent Interactions− Assessment of Common and Reparameterized (meta-) GGA Density Functionals L Goerigk, S Grimme Journal of Chemical Theory and Computation 6 (1), 107-126, 2009 | 489 | 2009 |
| Assessment of TD-DFT methods and of various spin scaled CIS (D) and CC2 versions for the treatment of low-lying valence excitations of large organic dyes L Goerigk, S Grimme The Journal of Chemical Physics 132 (18), 184103, 2010 | 389 | 2010 |
| Double‐hybrid density functionals L Goerigk, S Grimme Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (6), 576-600, 2014 | 387 | 2014 |
| Benchmarking Density Functional Methods against the S66 and S66x8 Datasets for Non‐Covalent Interactions L Goerigk, H Kruse, S Grimme ChemPhysChem 12 (17), 3421-3433, 2011 | 344 | 2011 |
| Computation of accurate excitation energies for large organic molecules with double-hybrid density functionals L Goerigk, J Moellmann, S Grimme Physical Chemistry Chemical Physics 11 (22), 4611-4620, 2009 | 286 | 2009 |
| The Nonlocal Kernel in van der Waals Density Functionals as an Additive Correction: An Extensive Analysis with Special Emphasis on the B97M-V and ωB97M-V Approaches A Najibi, L Goerigk Journal of chemical theory and computation 14 (11), 5725-5738, 2018 | 267 | 2018 |
| Spin‐component‐scaled electron correlation methods S Grimme, L Goerigk, RF Fink Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (6), 886-906, 2012 | 249 | 2012 |
| A trip to the density functional theory zoo: warnings and recommendations for the user L Goerigk, N Mehta Australian Journal of Chemistry 72 (8), 563-573, 2019 | 165 | 2019 |
| Calculation of electronic circular dichroism spectra with time-dependent double-hybrid density functional theory L Goerigk, S Grimme The Journal of Physical Chemistry A 113 (4), 767-776, 2009 | 160 | 2009 |
| Accurate reaction barrier heights of pericyclic reactions: Surprisingly large deviations for the CBS‐QB3 composite method and their consequences in DFT benchmark studies A Karton, L Goerigk Journal of computational chemistry 36 (9), 622-632, 2015 | 156 | 2015 |
| ωB2PLYP and ωB2GPPLYP: the first two double-hybrid density functionals with long-range correction optimized for excitation energies M Casanova-Páez, MB Dardis, L Goerigk Journal of chemical theory and computation 15 (9), 4735-4744, 2019 | 149 | 2019 |
| Semi-empirical or non-empirical double-hybrid density functionals: which are more robust? N Mehta, M Casanova-Páez, L Goerigk Physical Chemistry Chemical Physics 20 (36), 23175-23194, 2018 | 130 | 2018 |
| A Comprehensive Overview of the DFT-D3 London-Dispersion Correction L Goerigk Non-Covalent Interactions in Quantum Chemistry and Physics, 195-219, 2017 | 119 | 2017 |
| Treating London-Dispersion Effects with the Latest Minnesota Density Functionals: Problems and Possible Solutions L Goerigk The Journal of Physical Chemistry Letters 6 (19), 3891-3896, 2015 | 106 | 2015 |
Stefan GrimmeProfessor Universität BonnVerified email at thch.uni-bonn.de
