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Solute–Solvent Energetics Based on Proximal Distribution Functions

We consider the hydration structure and thermodynamic energetics of solutes in aqueous solution. On the basis of the dominant local correlation between the solvent and the chemical nature of the solute atoms, proximal distribution functions (pDF) can be used to quantitatively estimate the hydration...

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Detalles Bibliográficos
Publicado en:J Phys Chem B
Autores principales: Ou, Shu-Ching, Pettitt, B. Montgomery
Formato: Artigo
Lenguaje:Inglês
Publicado: 2016
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC5312610/
https://ncbi.nlm.nih.gov/pubmed/27095487
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.6b01898
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