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A continuum model of solvation energies including electrostatic, dispersion, and cavity contributions

Duignan, Timothy; Parsons, Drew; Ninham, Barry

Description

Physically accurate continuum solvent models that can calculate solvation energies are crucial to explain and predict the behavior of solute particles in water. Here, we present such a model applied to small spherical ions and neutral atoms. It improves u

CollectionsANU Research Publications
Date published: 2013
Type: Journal article
URI: http://hdl.handle.net/1885/74102
Source: Journal of Physical Chemistry B
DOI: 10.1021/jp403596c

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