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Effective charges of ionic liquid determined self-consistently through combination of molecular dynamics simulation and density-functional theory
Ishizuka, Ryosuke, Matubayasi, NobuyukiLanguage:
english
Journal:
Journal of Computational Chemistry
DOI:
10.1002/jcc.24880
Date:
July, 2017
File:
PDF, 1.34 MB
english, 2017