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Effects of geometry and chemistry on hydrophobic solvation

Inserting an uncharged van der Waals (vdw) cavity into water disrupts the distribution of water and creates attractive dispersion interactions between the solvent and solute. This free-energy change is the hydrophobic solvation energy (ΔG(vdw)). Frequently, it is assumed to be linear in the solvent-...

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Detalhes bibliográficos
Main Authors: Harris, Robert C., Pettitt, B. Montgomery
Formato: Artigo
Idioma:Inglês
Publicado em: National Academy of Sciences 2014
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4205605/
https://ncbi.nlm.nih.gov/pubmed/25258413
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1406080111
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