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On the accuracy of one- and two-particle solvation entropies
Evaluating solvation entropies directly and combining with direct energy calculations is one way of calculating free energies of solvation and is used by Inhomogeneous Fluid Solvation Theory (IFST). The configurational entropy of a fluid is a function of the interatomic correlations and can thus be...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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AIP Publishing LLC
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5438298/ https://www.ncbi.nlm.nih.gov/pubmed/28527450 http://dx.doi.org/10.1063/1.4983654 |