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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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Autori principali: Boda, Dezső, Henderson, Douglas, Eisenberg, Bob, Gillespie, Dirk
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Institute of Physics 2011
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Accesso online: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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