| Gaussian 16 MJ Frisch Revision B 1, 2016 | 28367* | 2016 |
| Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions AV Marenich, CJ Cramer, DG Truhlar The Journal of Physical Chemistry B 113 (18), 6378-6396, 2009 | 16498 | 2009 |
| Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015 | 3240 | 2015 |
| Use of solution-phase vibrational frequencies in continuum models for the free energy of solvation RF Ribeiro, AV Marenich, CJ Cramer, DG Truhlar The Journal of Physical Chemistry B 115 (49), 14556-14562, 2011 | 1157 | 2011 |
| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 907 | 2021 |
| Charge model 5: An extension of Hirshfeld population analysis for the accurate description of molecular interactions in gaseous and condensed phases AV Marenich, SV Jerome, CJ Cramer, DG Truhlar Journal of chemical theory and computation 8 (2), 527-541, 2012 | 885 | 2012 |
| NWChem: Past, present, and future E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ... The Journal of chemical physics 152 (18), 2020 | 658 | 2020 |
| Gaussian 16, revision C. 02; Gaussian, Inc MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Wallingford, CT, 2019 | 609* | 2019 |
| Self-consistent reaction field model for aqueous and nonaqueous solutions based on accurate polarized partial charges AV Marenich, RM Olson, CP Kelly, CJ Cramer, DG Truhlar Journal of Chemical Theory and Computation 3 (6), 2011-2033, 2007 | 545 | 2007 |
| Performance of SM6, SM8, and SMD on the SAMPL1 test set for the prediction of small-molecule solvation free energies AV Marenich, CJ Cramer, DG Truhlar The Journal of Physical Chemistry B 113 (14), 4538-4543, 2009 | 537 | 2009 |
| Hasegawa MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Ishida, M, 2003 | 532 | 2003 |
| Computational electrochemistry: prediction of liquid-phase reduction potentials AV Marenich, J Ho, ML Coote, CJ Cramer, DG Truhlar Physical Chemistry Chemical Physics 16 (29), 15068-15106, 2014 | 506 | 2014 |
| Quantum mechanical continuum solvation models for ionic liquids VS Bernales, AV Marenich, R Contreras, CJ Cramer, DG Truhlar The Journal of Physical Chemistry B 116 (30), 9122-9129, 2012 | 278 | 2012 |
| Gaussian16; Gaussian, Inc MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Wallingford, CT, 2016 | 277 | 2016 |
| Practical computation of electronic excitation in solution: vertical excitation model AV Marenich, CJ Cramer, DG Truhlar, CA Guido, B Mennucci, G Scalmani, ... Chemical Science 2 (11), 2143-2161, 2011 | 238 | 2011 |
| Generalized born solvation model SM12 AV Marenich, CJ Cramer, DG Truhlar Journal of Chemical Theory and Computation 9 (1), 609-620, 2013 | 233 | 2013 |
| Minnesota solvation database (MNSOL) version 2012 AV Marenich, CP Kelly, JD Thompson, GD Hawkins, CC Chambers, ... | 229 | 2020 |
| JA, JE Peralta, F MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Ogliaro, MJ Bearpark, JJ Heyd, EN Brothers, KN Kudin, VN Staroverov, TA …, 2016 | 224 | 2016 |
| NWChem E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ... American Institute of Physics, 2020 | 216 | 2020 |
| Universal solvation model based on the generalized born approximation with asymmetric descreening AV Marenich, CJ Cramer, DG Truhlar Journal of chemical theory and computation 5 (9), 2447-2464, 2009 | 169 | 2009 |
