| 1 |
A self-consistent reaction field model of solvation using distributed multipoles. I. Energy and energy derivatives
Rinaldi D, Bouchy A, Rivail JL, Dillet V
Journal of Chemical Physics, 120(5), 2343, 2004 |
| 2 |
Density functional study of the mechanism of a tyrosine phosphatase: 1. Intermediate formation
Asthagiri D, Dillet V, Liu TQ, Noodleman L, Van Etten RL, Bashford D
Journal of the American Chemical Society, 124(34), 10225, 2002 |
| 3 |
Stabilization of charges and protonation states in the active site of the protein tyrosine phosphatases: A computational study
Dillet V, Van Etten RL, Bashford D
Journal of Physical Chemistry B, 104(47), 11321, 2000 |
| 4 |
CuZn superoxide dismutase geometry optimization, energetics, and redox potential calculations by density functional and electrostatic methods
Konecny R, Li J, Fisher CL, Dillet V, Bashford D, Noodleman L
Inorganic Chemistry, 38(5), 940, 1999 |
| 5 |
Analytical Energy Derivatives for a Realistic Continuum Model of Solvation - Application to the Analysis of Solvent Effects on Reaction Paths
Dillet V, Rinaldi D, Bertran J, Rivail JL
Journal of Chemical Physics, 104(23), 9437, 1996 |
| 6 |
Liquid-State Quantum-Chemistry - An Improved Cavity Model
Dillet V, Rinaldi D, Rivail JL
Journal of Physical Chemistry, 98(19), 5034, 1994 |
