Molecular Simulations of Aqueous Electrolytes: Role of Explicit Inclusion of Charge Transfer into Force Fields
Author:
Affiliation:
1. Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.1c08383
Reference51 articles.
1. Recent progress in molecular simulation of aqueous electrolytes: force fields, chemical potentials and solubility
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3. Simulations of activities, solubilities, transport properties, and nucleation rates for aqueous electrolyte solutions
4. Toward a First-Principles Framework for Predicting Collective Properties of Electrolytes
5. Development of an Advanced Force Field for Water Using Variational Energy Decomposition Analysis
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