Effect of polarizability of halide anions on the ionic solvation in water clusters

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Original languageEnglish
Pages (from-to)6083-6091
Journal / PublicationJournal of Chemical Physics
Volume119
Issue number12
Publication statusPublished - 22 Sept 2003
Externally publishedYes

Abstract

Effect of polarizability of halide anions on the ionic solvation in water solvation was investigated. Various combinations of polarizable/nonpolarizable water and anion models were considered. it was found that the free energy change is on the order of 1 kcal/mol, indicating that the Cl- can easily access the surface region of the Dang-Chang water slab.

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