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

标题
First-Principles-Based Reaction Kinetics for Decomposition of Hot, Dense Liquid TNT from ReaxFF Multiscale Reactive Dynamics Simulations
作者
关键词
-
出版物
Journal of Physical Chemistry C
Volume 117, Issue 41, Pages 21043-21054
出版商
American Chemical Society (ACS)
发表日期
2013-09-12
DOI
10.1021/jp404907b

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