Daniel Rinaldi

发表

Effects of the solvent reaction field on the geometrical structures of hexahydrate metallic cations

Rafael R. Pappalardo, Enrique Sánchez Marcos, Daniel Rinaldi, 1991 .

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 .

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

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

The Self-Consistent Reaction Field Model for Molecular Computations in Solution

Manuel F. Ruiz-López, Jean-Louis Rivail, Daniel Rinaldi, 1991 .

Ab initio SCF calculations on electrostatically solvated molecules using a deformable three axes ellipsoidal cavity

Manuel F. Ruiz-López, Jean-Louis Rivail, D. Rinaldi, 1983 .

Liquid-State Quantum Chemistry: Computational Applications of the Polarizable Continuum Models

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

LIQUID-STATE QUANTUM CHEMISTRY : AN IMPROVED CAVITY MODEL

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

Theoretical calculation of vibrational polarizabilities. An application to the study of conformational and solvent effects

Manuel F. Ruiz-López, Jean-Louis Rivail, D. Rinaldi, 1986 .

A quantum chemical approach to dielectric solvent effects in molecular liquids

Jean-Louis Rivail, D. Rinaldi, J. Rivail, 1976 .

Computation of hydration free energies using a parameterized continuum model: Study of equilibrium geometries and reactive processes in water solution

Manuel F. Ruiz-López, Iñaki Tuñón, D. Rinaldi, 1996, J. Comput. Chem..

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.

A QM/MM/continuum model for computations in solution: Comparison with QM/MM molecular dynamics simulations

Manuel F. Ruiz-López, D. Rinaldi, M. Ruiz‐López, 2001 .