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Daniel Rinaldi

A quantum chemical approach to dielectric solvent effects in molecular liquids
1976 · Jean-Louis Rivail, Daniel Rinaldi · Chemical Physics · 357
Quantum mechanical computations on very large molecular systems: The local self‐consistent field method
1994 · Vincent Théry, Daniel Rinaldi, et al. · Journal of Computational Chemistry · 330
Polarisabilites mol�culaires et effet di�lectrique de milieu � l'�tat liquide. �tude th�orique de la mol�cule d'eau et de ses dim�res
1973 · Daniel Rinaldi, Jean-Louis Rivail · Theoretical Chemistry Accounts · 201
Ab initio SCF calculations on electrostatically solvated molecules using a deformable three axes ellipsoidal cavity
1983 · Daniel Rinaldi, Manuel F. Ruiz-Lopez, et al. · The Journal of Chemical Physics · 173
Fast geometry optimizationin self‐cosistent reaction field computations on solvated molecules
1992 · Daniel Rinaldi, Jean‐Louis Rivail, et al. · Journal of Computational Chemistry · 130
Liquid-State Quantum Chemistry: An Improved Cavity Model
1994 · Valerie Dillet, Daniel Rinaldi, et al. · The Journal of Physical Chemistry · 114
Hydroxide Ion in Liquid Water: Structure, Energetics, and Proton Transfer Using a Mixed Discrete-Continuum ab Initio Model
1995 · Inaki Tunon, Daniel Rinaldi, et al. · The Journal of Physical Chemistry · 103
Reaction field factors for a multipole distribution in a cavity surrounded by a continuum
1993 · Valérie Dillet, Daniel Rinaldi, et al. · Chemical Physics Letters · 91
Electrostatic component of solvation: Comparison of SCRF continuum models
2003 · Carles Curutchet, Christopher J. Cramer, et al. · Journal of Computational Chemistry · 87
Effects of the solvent reaction field on the geometrical structures of hexahydrate metallic cations
1991 · Enrique Sanchez Marcos, Rafael R. Pappalardo, et al. · The Journal of Physical Chemistry · 87
Solvent effects on molecular geometries and isomerization processes: a study of push-pull ethylenes in solution
1993 · Rafael R. Pappalardo, Enrique Sanchez Marcos, et al. · Journal of the American Chemical Society · 84
Liquid state quantum chemistry : A cavity model
1985 · J.L. Rivail, B. Terryn, et al. · Journal of Molecular Structure THEOCHEM · 82
Versatile techniques for semi-empirical SCF-LCAO calculations including minimization of energy
1977 · Daniel Rinaldi · Computers & Chemistry · 75
Liquid-State Quantum Chemistry: Computational Applications of the Polarizable Continuum Models
1996 · Jean-Louis RIVAIL, Daniel RINALDI · Computational chemistry - reviews of current trends · 70
Analytical energy derivatives for a realistic continuum model of solvation: Application to the analysis of solvent effects on reaction paths
1996 · Valérie Dillet, Daniel Rinaldi, et al. · The Journal of Chemical Physics · 64
A new single‐center method to compute molecular integrals of quantum chemistry in slater‐type orbital basis of functions
1994 · A. Bouferguene, D. Rinaldi · International Journal of Quantum Chemistry · 64
Lamé's functions and ellipsoidal harmonics for use in chemical physics
1982 · Daniel Rinaldi · Computers & Chemistry · 64
Intramolecular electron correlation in the self-consistent reaction field model of solvation. A MP2/6-31G** ab initio study of the NH3HCl complex
1992 · Christophe Chipot, Daniel Rinaldi, et al. · Chemical Physics Letters · 59
Calcul th�orique des polarisabilit�s �lectroniques mol�culaires. Comparaison des diff�rentes m�thodes
1974 · Daniel Rinaldi, Jean -Louis Rivail · Theoretical Chemistry Accounts · 55
Theoretical Studies of the Hydroxide-Catalyzed P−O Cleavage Reactions of Neutral Phosphate Triesters and Diesters in Aqueous Solution: Examination of the Changes Induced by H/Me Substitution
2005 · Nathalie Iché-Tarrat, Jean-Claude Barthelat, et al. · The Journal of Physical Chemistry B · 54
Influence of dispersion forces on the electronic structure of a solvated molecule
1986 · Daniel Rinaldi, Benedito J. Costa Cabral, et al. · Chemical Physics Letters · 54
A self-consistent reaction field model of solvation using distributed multipoles. I. Energy and energy derivatives
2004 · Daniel Rinaldi, Alain Bouchy, et al. · The Journal of Chemical Physics · 52
Computation of hydration free energies using a parameterized continuum model: Study of equilibrium geometries and reactive processes in water solution
1996 · I�aki Tu��n, Manuel F. Ruiz-L�pez, et al. · Journal of Computational Chemistry · 51
Solvent effects in infrared spectroscopy a computational approach
1996 · JEAN-LOUIS RIVAIL, DANIEL RINALDI, et al. · Molecular Physics · 42
A QM/MM/continuum model for computations in solution: Comparison with QM/MM molecular dynamics simulations
2001 · S. Chalmet, D. Rinaldi, et al. · International Journal of Quantum Chemistry · 40
Works count: 77
Citation count: 3,203
H-index: 30
I10-index: 49
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