Benedetta Mennucci

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

Continuum solvation models: A new approach to the problem of solute’s charge distribution and cavity boundaries

Benedetta Mennucci, Jacopo Tomasi · The Journal of Chemical Physics · 1997 · 2.8K citations

Natural Sciences, Chemistry, Physics +14

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

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

Definition of the hydrogen bond (IUPAC Recommendations 2011)

E. Arunan, Gautam R. Desiraju, Roger A. Klein et al. · Pure and Applied Chemistry · 2011 · 1.9K citations

Natural Sciences, Chemistry, Theoretical Chemistry +9