Molecular Force Field Development for Aqueous Electrolytes: 1. Incorporating Appropriate Experimental Data and the Inadequacy of Simple Electrolyte Force Fields Based on Lennard-Jones and Point Charge Interactions with Lorentz–Berthelot Rules

Title
Molecular Force Field Development for Aqueous Electrolytes: 1. Incorporating Appropriate Experimental Data and the Inadequacy of Simple Electrolyte Force Fields Based on Lennard-Jones and Point Charge Interactions with Lorentz–Berthelot Rules
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 9, Issue 11, Pages 5076-5085
Publisher
American Chemical Society (ACS)
Online
2013-10-09
DOI
10.1021/ct4006008

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