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Simple models for hydrophobic hydration.

Höfinger, Siegfried and Zerbetto, Francesco (2005) Simple models for hydrophobic hydration. Chemical Society Reviews, 34 (12). pp. 1012-1020. ISSN 0306-0012


This tutorial review compares models that describe DeltaG(cavitation). Their qualitative agreement suggests the use of the simple, time-honored Pierotti equation. Its coefficients, fine-tuned with atomistic simulations, give a revised Pierotti approach, rPA. A discussion of the extension of the rPA model to non-spherical solutes is presented and the different roles of molecular volume and surface area of the solute are brought together. The tutorial review is aimed at experimentalists and theoreticians interested in the description of solvent effects.

Item Type: Article
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Additional Information: author can archive post-print (ie final draft post-refereeing); Author's version in web repository after 12 months or immediately with fee
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Date Deposited: 14 Dec 2009 13:59
Last Modified: 14 Dec 2009 13:59


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