Free Energy Profile of NaCl in Water: First-Principles Molecular Dynamics with SCAN and ωB97X-V Exchange–Correlation Functionals

标题
Free Energy Profile of NaCl in Water: First-Principles Molecular Dynamics with SCAN and ωB97X-V Exchange–Correlation Functionals
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 14, Issue 2, Pages 884-893
出版商
American Chemical Society (ACS)
发表日期
2017-12-29
DOI
10.1021/acs.jctc.7b00846

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