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Assessing the accuracy of approximate treatments of ion hydration based on primitive quasichemical theory

Quasichemical theory (QCT) provides a framework that can be used to partition the influence of the solvent surrounding an ion into near and distant contributions. Within QCT, the solvation properties of the ion are expressed as a sum of configurational integrals comprising only the ion and a small n...

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Detalhes bibliográficos
Main Authors: Roux, Benoît, Yu, Haibo
Formato: Artigo
Idioma:Inglês
Publicado em: American Institute of Physics 2010
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2903185/
https://ncbi.nlm.nih.gov/pubmed/20572683
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3436632
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