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Ion clusters and ion-water potentials in MD-simulations

A well known, if little documented, problem in many molecular simulations of aqueous ionic solutions at finite concentrations is that unrealistic cation-cation associations are frequently found. One might suspect a defect in the ion-ion interaction potentials, about which not much is known. However,...

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Bibliographic Details
Main Authors: Bopp, Ph.A., Ibuki, K.
Format: Article
Language:English
Published: Інститут фізики конденсованих систем НАН України 2012
Series:Condensed Matter Physics
Online Access:http://dspace.nbuv.gov.ua/handle/123456789/120269
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