The effect of various quantum mechanically derived partial atomic charges on the bulk properties of chloride-based ionic liquids

Published 2016 View Full Article

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Title
The effect of various quantum mechanically derived partial atomic charges on the bulk properties of chloride-based ionic liquids
Authors
Keywords
Partial charges, Molecular dynamics simulations, Chloride ionic liquids, Force fields
Journal
CHEMICAL PHYSICS
Volume 475, Issue -, Pages 23-31
Publisher
Elsevier BV
Online
2016-05-28
DOI
10.1016/j.chemphys.2016.05.022

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