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Self-consistent treatment of the local dielectric permittivity and electrostatic potential in solution for polarizable macromolecular force fields

A self-consistent method is presented for the calculation of the local dielectric permittivity and electrostatic potential generated by a solute of arbitrary shape and charge distribution in a polar and polarizable liquid. The structure and dynamics behavior of the liquid at the solute/liquid interf...

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Autore principale: Hassan, Sergio A.
Natura: Artigo
Lingua:Inglês
Pubblicazione: U.S. Government 2012
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC3432095/
https://ncbi.nlm.nih.gov/pubmed/22920098
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4742910
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