New Approaches to Solvent‐Mediated Molecular Interactions

Bernard Pettitt, Peter J. Rossky

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

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.

Original languageEnglish (US)
Pages (from-to)156-162
Number of pages7
JournalIsrael Journal of Chemistry
Volume27
Issue number2
DOIs
StatePublished - 1986
Externally publishedYes

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Molecular interactions
Water
Integral equations
Ions
Molecules
Liquids

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

New Approaches to Solvent‐Mediated Molecular Interactions. / Pettitt, Bernard; Rossky, Peter J.

In: Israel Journal of Chemistry, Vol. 27, No. 2, 1986, p. 156-162.

Research output: Contribution to journalArticle

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