CERMICS - Academic Profile | RDL Research Database

Publications

A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics

Éric Cancès , Benedetta Mennucci , J. Tomasi

We present a new integral equation formulation of the polarizable continuum model (PCM) which allows one to treat in a single approach dielectrics of different nature: standard ...

1997 The Journal of Chemical Physics 6635 citations

Evaluation of Solvent Effects in Isotropic and Anisotropic Dielectrics and in Ionic Solutions with a Unified Integral Equation Method: Theoretical Bases, Computational Implementation, and Numerical Applications

Benedetta Mennucci , Éric Cancès , J. Tomasi

We present the full implementation of the integral equation formalism (IEF) we have recently formulated to treat solvent effects. The method exploits a single common approach fo...

1997 The Journal of Physical Chemistry B 2097 citations

Recent Advances in the Description of Solvent Effects with the Polarizable Continuum Model

C. Amovilli , Vincenzo Barone , Roberto Cammi +5 more

1998 Advances in quantum chemistry 454 citations

Affiliated Researchers

Éric Cancès

CERMICS

Éric Cancès

CERMICS

Institution Info

Type: facility
Country: FR
Publications: 3
Citations: 9,186

External Links

Identifiers

ROR: https://ror.org/03wct8w46