Assessing the Accuracy of Inhomogeneous Fluid Solvation Theory in Predicting Hydration Free Energies of Simple Solutes

[Image: see text] Accurate prediction of hydration free energies is a key objective of any free energy method that is applied to modeling and understanding interactions in the aqueous phase. Inhomogeneous fluid solvation theory (IFST) is a statistical mechanical method for calculating solvation free...

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Detalles Bibliográficos
Autores principales: Huggins, David J., Payne, Mike C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2013
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3756531/
https://www.ncbi.nlm.nih.gov/pubmed/23763625
http://dx.doi.org/10.1021/jp4042233

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3756531/
https://www.ncbi.nlm.nih.gov/pubmed/23763625
http://dx.doi.org/10.1021/jp4042233

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