J. Tomasi

Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

Stanislav Miertuš, Eolo Scrocco, J. Tomasi · Chemical Physics · 1981 · 8.9K citations

Natural Sciences, Chemistry, Computational Chemistry +16

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 · The Journal of Chemical Physics · 1997 · 6.8K citations

Natural Sciences, Chemistry, Materials Science +17

The IEF version of the PCM solvation method: an overview of a new method addressed to study molecular solutes at the QM ab initio level

J. Tomasi, Benedetta Mennucci, Éric Cancès · Journal of Molecular Structure THEOCHEM · 1999 · 2.6K citations

Natural Sciences, Chemistry, Computational Chemistry +12

Approximate evaluations of the electrostatic free energy and internal energy changes in solution processes

Stanislav Miertuš, J. Tomasi · Chemical Physics · 1982 · 2.5K citations

Natural Sciences, Biophysics, Physics +17

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 · The Journal of Physical Chemistry B · 1997 · 2.2K citations

Natural Sciences, Chemistry, Physics +17