Self-Consistent Determination of Atomic Charges of Ionic Liquid through a Combination of Molecular Dynamics Simulation and Density Functional Theory

Published 2016 View Full Article

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Title
Self-Consistent Determination of Atomic Charges of Ionic Liquid through a Combination of Molecular Dynamics Simulation and Density Functional Theory
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 12, Issue 2, Pages 804-811
Publisher
American Chemical Society (ACS)
Online
2016-01-07
DOI
10.1021/acs.jctc.5b00885

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