Jean-Louis Rivail
Jean-Louis Rivail
Adresse e-mail validée de univ-lorraine.fr
Titre
Citée par
Citée par
Année
Molecular Spectroscopy: Volume 3
RF Barrow, DA Long, DJ Millen
Royal Society of Chemistry, 2007
6142007
A quantum chemical approach to dielectric solvent effects in molecular liquids
JL Rivail, D Rinaldi
Chemical Physics 18 (1-2), 233-242, 1976
4201976
Quantum mechanical computations on very large molecular systems: The local self‐consistent field method
V Théry, D Rinaldi, JL Rivail, B Maigret, GG Ferenczy
Journal of computational chemistry 15 (3), 269-282, 1994
3971994
Quantum chemical computations on parts of large molecules: the ab initio local self consistent field method
X Assfeld, JL Rivail
Chemical physics letters 263 (1-2), 100-106, 1996
3401996
Peptide models. 1. Topology of selected peptide conformational potential energy surfaces (glycine and alanine derivatives)
A Perczel, JG Angyan, M Kajtar, W Viviani, JL Rivail, JF Marcoccia, ...
Journal of the American chemical society 113 (16), 6256-6265, 1991
2851991
Molecular Polarizability and Dielectric Effect of Medium in Liquid-Phase-Theoretical Study of Water Molecule and Its Dimers
D Rinaldi, JL Rivail
Theoretica Chimica Acta 32 (1), 57-70, 1973
2501973
Ab initio analysis of water-assisted reaction mechanisms in amide hydrolysis
S Antonczak, MF Ruiz-Lopez, JL Rivail
Journal of the American Chemical Society 116 (9), 3912-3921, 1994
2241994
Ab initio SCF calculations on electrostatically solvated molecules using a deformable three axes ellipsoidal cavity
D Rinaldi, MF Ruiz‐Lopez, JL Rivail
The Journal of Chemical Physics 78 (2), 834-838, 1983
2091983
Hybrid classical quantum force field for modeling very large molecules
G Monard, M Loos, V Théry, K Baka, JL Rivail
International journal of quantum chemistry 58 (2), 153-159, 1996
1871996
Fast geometry optimizationin self‐cosistent reaction field computations on solvated molecules
D Rinaldi, JL Rivail, N Rguini
Journal of computational chemistry 13 (6), 675-680, 1992
1631992
Specific force field parameters determination for the hybrid ab initio QM/MM LSCF method
N Ferré, X Assfeld, JL Rivail
Journal of computational chemistry 23 (6), 610-624, 2002
1482002
A coupled density functional‐molecular mechanics Monte Carlo simulation method: The water molecule in liquid water
I Tuñón, MTC Martins‐Costa, C Millot, MF Ruiz‐López, JL Rivail
Journal of computational chemistry 17 (1), 19-29, 1996
1461996
Liquid-state quantum chemistry: An improved cavity model
V Dillet, D Rinaldi, JL Rivail
The Journal of Physical Chemistry 98 (19), 5034-5039, 1994
1311994
Éléments de chimie quantique à l'usage des chimistes (2e édition)
JL Rivail
EDP Sciences, 2012
1202012
Modeling amino acid side chains. 1. Determination of net atomic charges from ab initio self-consistent-field molecular electrostatic properties
C Chipot, B Maigret, JL Rivail, HA Scheraga
The Journal of Physical Chemistry 96 (25), 10276-10284, 1992
1121992
Énergie libre d’une distribution de charges électriques séparée d’un milieu diélectrique infini par une cavité ellipsoïdale quelconque, application à l’étude de la solvation …
JL Rivail, B Terryn
Journal de Chimie Physique 79, 1-6, 1982
1091982
Liquid state quantum chemistry: A cavity model
JL Rivail, B Terryn, D Rinaldi, MF Ruiz-Lopez
Journal of Molecular Structure: THEOCHEM 120, 387-400, 1985
1071985
Hydroxide ion in liquid water: structure, energetics, and proton transfer using a mixed discrete-continuum ab initio model
I Tunon, D Rinaldi, MF Ruiz-Lopez, JL Rivail
The Journal of Physical Chemistry 99 (11), 3798-3805, 1995
1061995
NDDO fragment self‐consistent field approximation for large electronic systems
GG Ferenczy, JL Rivail, PR Surján, G Náray‐Szabó
Journal of computational chemistry 13 (7), 830-837, 1992
1051992
Reaction field factors for a multipole distribution in a cavity surrounded by a continuum
V Dillet, D Rinaldi, JG Ángyán, JL Rivail
Chemical physics letters 202 (1-2), 18-22, 1993
1031993
Le système ne peut pas réaliser cette opération maintenant. Veuillez réessayer plus tard.
Articles 1–20