| Literature DB >> 16284667 |
Siegfried Höfinger1, Francesco Zerbetto.
Abstract
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.Mesh:
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Year: 2005 PMID: 16284667 DOI: 10.1039/b504088b
Source DB: PubMed Journal: Chem Soc Rev ISSN: 0306-0012 Impact factor: 54.564