Molecular Force Field Development for Aqueous Electrolytes: 2. Polarizable Models Incorporating Crystalline Chemical Potential and Their Accurate Simulations of Halite, Hydrohalite, Aqueous Solutions of NaCl, and Solubility

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Authors: Jan Dočkal, Martin Lísal, Filip Moučka

Journal title: Journal of Chemical Theory and Computation

Journal number: 16/6

Journal publisher: American Chemical Society

Published year: 2020

Published pages: 3677-3688

DOI identifier: 10.1021/acs.jctc.0c00161

ISSN: 1549-9618