A Simple AIMD Approach to Derive Atomic Charges for Condensed Phase Simulation of Ionic Liquids

Published 2012 View Full Article

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Title
A Simple AIMD Approach to Derive Atomic Charges for Condensed Phase Simulation of Ionic Liquids
Authors
Keywords
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Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 116, Issue 33, Pages 10036-10048
Publisher
American Chemical Society (ACS)
Online
2012-08-02
DOI
10.1021/jp3037999

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