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Simple models for hydrophobic hydration.

Siegfried Höfinger·Francesco Zerbetto
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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.

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Hydrophobic and Hydrophilic InteractionsModels, ChemicalSolventsThermodynamicsWaterJournal ArticleReview

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Siegfried Höfinger, Francesco Zerbetto. 2005-10-12. Simple models for hydrophobic hydration.. https://doi.org/10.1039/b504088b

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