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Self-Consistent Determination of Atomic Charges of Ionic Liquid through Combination of Molecular Dynamics Simulation and Density Functional Theory
Ishizuka, Ryosuke, Matubayasi, NobuyukiLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.5b00885
Date:
January, 2016
File:
PDF, 873 KB
english, 2016