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Development of the ReaxFF Methodology for Electrolyte-Water Systems.
Fedkin MV, Shin YK, Dasgupta N, Yeon J, Zhang W, van Duin D, van Duin ACT, Mori K, Fujiwara A, Machida M, Nakamura H, Okumura M. Fedkin MV, et al. J Phys Chem A. 2019 Mar 14;123(10):2125-2141. doi: 10.1021/acs.jpca.8b10453. Epub 2019 Mar 1. J Phys Chem A. 2019. PMID: 30775922