On the validity of dielectric continuum models in application to solvation in molecular solvents

Anatoli Milischuk, Dmitry Matyushov

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Abstract

Monte Carlo simulations of solvation of a point dipole in dipolar-quadrupolar solvents of varying dipole moment and axial quadrupole were carried out. It was found that changes in solvent quadrupole result in variations of the solvation chemical potential opposite to those predicted by dielectric solvation models for solvents of arbitrary polarity.

Original languageEnglish (US)
Pages (from-to)1859-1862
Number of pages4
JournalJournal of Chemical Physics
Volume118
Issue number4
DOIs
Publication statusPublished - Jan 22 2003

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ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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