V. Dillet

发表

Density functional study of the mechanism of a tyrosine phosphatase: I. Intermediate formation.

D. Bashford, Tiqing Liu, Louis Noodleman, 2002, Journal of the American Chemical Society.

Calculations of electrostatic interactions and pKas in the active site of Escherichia coli thioredoxin.

D. Bashford, H. Dyson, D Bashford, 1998, Biochemistry.

Stabilization of Charges and Protonation States in the Active Site of the Protein Tyrosine Phosphatases: A Computational Study†

Donald Bashford, D. Bashford, Valerie Dillet, 2000 .

CuZn Superoxide Dismutase Geometry Optimization, Energetics, and Redox Potential Calculations by Density Functional and Electrostatic Methods.

D. Bashford, Louis Noodleman, Jian Li, 1999, Inorganic chemistry.

SOLVENT EFFECTS ON DIELS-ALDER REACTIONS: A SEMI-EMPIRICAL STUDY

J. Mayoral, C. Cativiela, J. García, 1995 .

A self-consistent reaction field model of solvation using distributed multipoles. I. Energy and energy derivatives.

Jean-Louis Rivail, Alain Bouchy, D. Rinaldi, 2004, The Journal of chemical physics.

Analytical energy derivatives for a realistic continuum model of solvation: Application to the analysis of solvent effects on reaction paths

Jean-Louis Rivail, D. Rinaldi, J. Rivail, 1996 .

LIQUID-STATE QUANTUM CHEMISTRY : AN IMPROVED CAVITY MODEL

Jean-Louis Rivail, D. Rinaldi, J. Rivail, 1994 .

Reaction field factors for a multipole distribution in a cavity surrounded by a continuum

Jean-Louis Rivail, János G. Ángyán, D. Rinaldi, 1993 .

SOLVENT EFFECTS ON THE CONFORMATIONAL BEHAVIOR OF MODEL PEPTIDES. A COMPARISON BETWEEN DIFFERENT CONTINUUM MODELS

V. Barone, C. Adamo, V. Dillet, 1996 .

SOLVENT EFFECTS IN INFRARED SPECTROSCOPY : A COMPUTATIONAL APPROACH

D. Rinaldi, J. Rivail, V. Dillet, 1996 .