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Introducing Charge Hydration Asymmetry into the Generalized Born Model
[Image: see text] The effect of charge hydration asymmetry (CHA)—non-invariance of solvation free energy upon solute charge inversion—is missing from the standard linear response continuum electrostatics. The proposed charge hydration asymmetric–generalized Born (CHA–GB) approximation introduces thi...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American
Chemical Society
2014
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3985468/ https://ncbi.nlm.nih.gov/pubmed/24803871 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct4010917 |
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