We present an implicit solvation approach where the interface between the quantum-
mechanical solute and the surrounding environment is described by a fully continuous …

PCMSolver is an open‐source library for continuum electrostatic solvation. It can be
combined with any quantum chemistry code and requires a minimal interface with the host …

This review describes the theory and implementation of implicit solvation models based on
continuum electrostatics. Within quantum chemistry this formalism is sometimes …

Continuum models to handle solvent and electrolyte effects in an effective way have a long
tradition in quantum-chemistry simulations and are nowadays also being introduced in …

Continuum solvation methods can provide an accurate and inexpensive embedding of
quantum simulations in liquid or complex dielectric environments. Notwithstanding a long …

Solvation effects are essential components of all liquid-state chemistry, and it is impossible
to understand liquid-phase organic, biological, or inorganic chemistry without including …

We have implemented an efficient version of the polarizable continuum solvation model in
the GAUSSIAN94 package. This version exploits a new definition of surface elements area …

We present a new continuum solvation model based on the quantum mechanical charge
density of a solute molecule interacting with a continuum description of the solvent. The …

A new approach is proposed to enhance the efficiency and accuracy for calculation of the
long-range electrostatic interaction from implicit solvation models, ie, the polarizable …

Many important applications of electronic structure methods involve molecules or solid
surfaces in a solvent medium. Since explicit treatment of the solvent in such methods is …