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Continuum electrostatic behavior of a 3D-RISM theory
The electrostatic response underlying the 3D-RISM theory and its general relationship to models in which the solvent is represented in terms of a dielectric continuum is examined. It is found that the theory provides a coherent picture of solvation although its behavior is not entirely consistent wi...
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| Publicado no: | J Phys Chem B |
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| Autor principal: | |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7568820/ https://ncbi.nlm.nih.gov/pubmed/32697579 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.0c05519 |
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