| 1 |
Solvation Free-Energy Calculations Using a Continuum Dielectric Model for the Solvent and Gradient-Corrected Density-Functional Theory for the Solute
Tawa GJ, Martin RL, Pratt LR, Russo TV
Journal of Physical Chemistry, 100(5), 1515, 1996 |
| 2 |
Application of Gradient-Corrected Density-Functional Theory to the Structures and Thermochemistries of ScF3, Tif4, Vf5, and Crf6
Russo TV, Martin RL, Hay PJ
Journal of Chemical Physics, 102(20), 8023, 1995 |
| 3 |
Vibrational Frequencies of Transition-Metal Chloride and Oxo Compounds Using Effective Core Potential Analytic 2nd-Derivatives
Russo TV, Martin RL, Hay PJ, Rappe AK
Journal of Chemical Physics, 102(23), 9315, 1995 |
| 4 |
Effective Core Potentials for DFT Calculations
Russo TV, Martin RL, Hay PJ
Journal of Physical Chemistry, 99(47), 17085, 1995 |
| 5 |
New Pseudospectral Algorithms for Electronic-Structure Calculations - Length Scale Separation and Analytical 2-Electron Integral Corrections
Greeley BH, Russo TV, Mainz DT, Friesner RA, Langlois JM, Goddard WA, Donnelly RE, Ringnalda MN
Journal of Chemical Physics, 101(5), 4028, 1994 |
| 6 |
Density-Functional Calculations on First-Row Transition-Metals
Russo TV, Martin RL, Hay PJ
Journal of Chemical Physics, 101(9), 7729, 1994 |
