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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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Bibliografische gegevens
Gepubliceerd in:J Phys Chem B
Hoofdauteur: Roux, Benoît
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: 2020
Onderwerpen:
Online toegang: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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