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

Continuum solvation models are appealing because of the simplified yet accurate
description they provide of the solvent effect on a solute, described either by quantum …

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

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 …

Implicit solvent models based on the Poisson‐Boltzmann (PB) equation are frequently used
to describe the interactions of a biomolecule with its dielectric continuum environment. A …

We present a formulation of the nonequilibrium solvation problem for the polarizable
continuum model (PCM) computational scheme. The solvent is represented by a linear and …

There is currently substantial interest in theoretically treating effects of solvation on the
properties of molecules, and several excellent reviews have recently appeared. 1–4 Among …

An approximate method, recently proposed to include in continuum solvation models the
effects of electronic charge lying outside the solute cavity, has been adapted and …

Polarizable continuum solvation models are nowadays the most popular approach to
describe solvent effects in the context of quantum mechanical calculations. Unexpectedly …

Continuum solvation models have proven to yield very valuable information about solvation
effects, if cavities close to the van der Waals surface of the solutes are used for the …