New Approaches to Solvent‐Mediated Molecular Interactions

Recently developed integral equation methods for the evaluation of intermolecular and intramolecular interactions in a polar solvent medium are discussed and representative applications are presented. Examples include solvent modification of interionic interactions between atomic or molecular ions in water and liquid environment induced shifts in conformational equilibria for both non‐polar and polar flexible molecules in water. Emphasis is placed on the features of these phenomena which can be traced specifically to the molecularity of the solvent and hence cannot be adequately reproduced by a simple continuum dielectric solvent representation.