| 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), 154104, 2010 | 48246 | 2010 |
| 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 | 22027 | 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 | 1651 | 2017 |
| System‐Dependent Dispersion Coefficients for the DFT‐D3 Treatment of Adsorption Processes on Ionic Surfaces S Ehrlich, J Moellmann, W Reckien, T Bredow, S Grimme ChemPhysChem 12 (17), 3414-3420, 2011 | 424 | 2011 |
| Dispersion-corrected density functional theory for aromatic interactions in complex systems S Ehrlich, J Moellmann, S Grimme Accounts of chemical research 46 (4), 916-926, 2012 | 415 | 2012 |
| On the importance of the dispersion energy for the thermodynamic stability of molecules S Grimme, R Huenerbein, S Ehrlich ChemPhysChem 12 (7), 1258-1261, 2011 | 211 | 2011 |
| Automated transition state search and its application to diverse types of organic reactions LD Jacobson, AD Bochevarov, MA Watson, TF Hughes, D Rinaldo, ... Journal of chemical theory and computation 13 (11), 5780-5797, 2017 | 155 | 2017 |
| A DFT-D study of structural and energetic properties of TiO2 modifications J Moellmann, S Ehrlich, R Tonner, S Grimme Journal of physics: condensed matter 24 (42), 424206, 2012 | 145 | 2012 |
| Towards full quantum‐mechanics‐based protein–ligand binding affinities S Ehrlich, AH Göller, S Grimme ChemPhysChem 18 (8), 898-905, 2017 | 60 | 2017 |
| Dispersion‐Driven Conformational Isomerism in σ‐Bonded Dimers of Larger Acenes S Ehrlich, HF Bettinger, S Grimme Angewandte Chemie International Edition 52 (41), 10892-10895, 2013 | 52 | 2013 |
| The frustrated Lewis pair pathway to methylene phosphonium systems Y Hasegawa, G Kehr, S Ehrlich, S Grimme, CG Daniliuc, G Erker Chemical Science 5 (2), 797-803, 2014 | 45 | 2014 |
| Accurate thermochemistry for large molecules with modern density functionals M Steinmetz, A Hansen, S Ehrlich, T Risthaus, S Grimme Density Functionals, 1-23, 2014 | 27 | 2014 |
| Splitting of dihydrogen by five-membered zirconacycloallenoids: a novel pathway to conjugated diene zirconocene complexes G Bender, G Kehr, CG Daniliuc, QM Dao, S Ehrlich, S Grimme, G Erker Chemical Communications 48 (90), 11085-11087, 2012 | 18 | 2012 |
| Dispersionsvermittelte Konformationsisomerie in großen σ‐gebundenen Acen‐Dimeren S Ehrlich, HF Bettinger, S Grimme Angewandte Chemie 125 (41), 11092-11096, 2013 | 11 | 2013 |
| Comment on ‘Thioformyl chloride dimer: An excellent model system for the assessment of new computational methods’[Comput. Theoret. Chem. 983 (2012) 83–87] S Ehrlich, S Grimme Computational and Theoretical Chemistry 999, 152-153, 2012 | 1 | 2012 |
| Development and Application of Dispersion Corrected Density Functional Theory S Ehrlich | | 2013 |
| Supporting information for: A Look at the Density Functional Theory Zoo with the Advanced GMTKN55 Database for General Main Group Thermochemistry, Kinetics and Noncovalent … L Goerigk, A Hansen, C Bauer, S Ehrlich, A Najibi, S Grimme | | |
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