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Charge hydration asymmetry: the basic principle and how to use it to test and improve water models
Charge hydration asymmetry (CHA) manifests itself in the experimentally observed strong dependence of free energy of ion hydration on the sign of the ion charge. This asymmetry is not consistently accounted for by popular models of solvation; its magnitude varies greatly between the models. While it...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2012
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3482486/ https://ncbi.nlm.nih.gov/pubmed/22762271 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp305226j |
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