| 1 |
Use of Solution-Phase Vibrational Frequencies in Continuum Models for the Free Energy of Solvation
Ribeiro RF, Marenich AV, Cramer CJ, Truhlar DG
Journal of Physical Chemistry B, 115(49), 14556, 2011 |
| 2 |
Performance of SM6, SM8, and SMD on the SAMPL1 Test Set for the Prediction of Small-Molecule Solvation Free Energies
Marenich AV, Cramer CJ, Truhlar DG
Journal of Physical Chemistry B, 113(14), 4538, 2009 |
| 3 |
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
Marenich AV, Cramer CJ, Truhlar DG
Journal of Physical Chemistry B, 113(18), 6378, 2009 |
| 4 |
Molecular Spectroscopy beyond the born-oppenheimer approximation: A computational study of the CF30 and CF3S radicals
Marenich AV, Boggs JE
Journal of Physical Chemistry A, 111(44), 11214, 2007 |
| 5 |
The role of the cubic and quartic Jahn-Teller coupling in the (XE)-E-2 ground electronic state of the methoxy radical CH3O
Marenich AV, Boggs JE
Chemical Physics Letters, 404(4-6), 351, 2005 |
| 6 |
Vibrational spectrum and thermochemistry of the formyl (HCO) radical: A variational study by the coupled cluster CCSD(T) method with complete basis set extrapolation
Marenich AV, Boggs JE
Journal of Physical Chemistry A, 108(25), 5431, 2004 |
| 7 |
Jahn-Teller effect versus spin-orbit coupling in (XE)-E-2 CH3S: An ab initio study by the equation-of-motion coupled cluster method and multiconfiguration quasi-degenerate second-order perturbation theory
Marenich AV, Boggs JE
Journal of Physical Chemistry A, 108(47), 10594, 2004 |
| 8 |
A variational study of nuclear dynamics and structural flexibility of the CH2OH radical
Marenich AV, Boggs JE
Journal of Chemical Physics, 119(6), 3098, 2003 |
| 9 |
Structural and thermochemical properties of the hydroxymethyl (CH2OH) radical: A high precision ab initio study
Marenich AV, Boggs JE
Journal of Chemical Physics, 119(19), 10105, 2003 |
| 10 |
Coupled cluster CCSD(T) calculations of equilibrium geometries, anharmonic force fields, and thermodynamic properties of the formyl (HCO) and isoformyl (COH) radical species
Marenich AV, Boggs JE
Journal of Physical Chemistry A, 107(13), 2343, 2003 |
