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A method for treating the passage of a charged hard sphere ion as it passes through a sharp dielectric boundary

In the implicit solvent models of electrolytes (such as the primitive model (PM)), the ions are modeled as point charges in the centers of spheres (hard spheres in the case of the PM). The surfaces of the spheres are not polarizable which makes these models appropriate to use in computer simulations...

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Detalles Bibliográficos
Main Authors: Boda, Dezső, Henderson, Douglas, Eisenberg, Bob, Gillespie, Dirk
Formato: Artigo
Idioma:Inglês
Publicado: American Institute of Physics 2011
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC3170393/
https://ncbi.nlm.nih.gov/pubmed/21842924
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3622857
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