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New Approaches to Solvent‐Mediated Molecular Interactions
Author(s) -
Montgomery Pettitt B.,
Rossky Peter J.
Publication year - 1986
Publication title -
israel journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.908
H-Index - 54
eISSN - 1869-5868
pISSN - 0021-2148
DOI - 10.1002/ijch.198600024
Subject(s) - chemistry , polar , solvent , intramolecular force , intermolecular force , chemical physics , molecule , computational chemistry , dielectric , molecular dynamics , solvent effects , ion , hydrogen bond , representation (politics) , organic chemistry , quantum mechanics , physics , politics , political science , law
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.