First-Principles-Based Reaction Kinetics for Decomposition of Hot, Dense Liquid TNT from ReaxFF Multiscale Reactive Dynamics Simulations

Title
First-Principles-Based Reaction Kinetics for Decomposition of Hot, Dense Liquid TNT from ReaxFF Multiscale Reactive Dynamics Simulations
Authors
Keywords
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Journal
Journal of Physical Chemistry C
Volume 117, Issue 41, Pages 21043-21054
Publisher
American Chemical Society (ACS)
Online
2013-09-12
DOI
10.1021/jp404907b

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