| 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 | 16589 | 2009 |
| Essentials of computational chemistry: theories and models CJ Cramer John Wiley & Sons, 2013 | 6574 | 2013 |
| 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 | 3233 | 2015 |
| Implicit solvation models: equilibria, structure, spectra, and dynamics CJ Cramer, DG Truhlar Chemical Reviews 99, 2161-2200, 1999 | 2910 | 1999 |
| Density functional theory for transition metals and transition metal chemistry CJ Cramer, DG Truhlar Physical Chemistry Chemical Physics 11 (46), 10757-10816, 2009 | 1916 | 2009 |
| Consistent van der Waals radii for the whole main group M Mantina, AC Chamberlin, R Valero, CJ Cramer, DG Truhlar The Journal of Physical Chemistry A 113 (19), 5806-5812, 2009 | 1866 | 2009 |
| 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 | 1150 | 2011 |
| Aqueous solvation free energies of ions and ion− water clusters based on an accurate value for the absolute aqueous solvation free energy of the proton CP Kelly, CJ Cramer, DG Truhlar The Journal of Physical Chemistry B 110 (32), 16066-16081, 2006 | 1121 | 2006 |
| Parametrized models of aqueous free energies of solvation based on pairwise descreening of solute atomic charges from a dielectric medium GD Hawkins, CJ Cramer, DG Truhlar The Journal of Physical Chemistry 100 (51), 19824-19839, 1996 | 1087 | 1996 |
| Destruction of chemical warfare agents using metal–organic frameworks JE Mondloch, MJ Katz, WC Isley Iii, P Ghosh, P Liao, W Bury, GW Wagner, ... Nature materials 14 (5), 512-516, 2015 | 985 | 2015 |
| 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 | 917 | 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 | 893 | 2012 |
| Pairwise solute descreening of solute charges from a dielectric medium GD Hawkins, CJ Cramer, DG Truhlar Chemical Physics Letters 246 (1-2), 122-129, 1995 | 864 | 1995 |
| Mechanically activated, catalyst-free polyhydroxyurethane vitrimers DJ Fortman, JP Brutman, CJ Cramer, MA Hillmyer, WR Dichtel Journal of the American Chemical Society 137 (44), 14019-14022, 2015 | 771 | 2015 |
| 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 | 671 | 2020 |
| A universal approach to solvation modeling CJ Cramer, DG Truhlar Accounts of chemical research 41 (6), 760-768, 2008 | 652 | 2008 |
| General parameterized SCF model for free energies of solvation in aqueous solution CJ Cramer, DG Truhlar Journal of the American Chemical Society 113 (22), 8305-8311, 1991 | 593 | 1991 |
| Single-ion solvation free energies and the normal hydrogen electrode potential in methanol, acetonitrile, and dimethyl sulfoxide CP Kelly, CJ Cramer, DG Truhlar The Journal of Physical Chemistry B 111 (2), 408-422, 2007 | 583 | 2007 |
| An SCF solvation model for the hydrophobic effect and absolute free energies of aqueous solvation CJ Cramer, DG Truhlar Science 256 (5054), 213-217, 1992 | 571 | 1992 |
| 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 | 543 | 2009 |
Donald TruhlarUniversity of MinnesotaOverená e-mailová adresa na: umn.edu
