Tuesday, October 08, 2013

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

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The Journal of Physical Chemistry C

DOI: 10.1021/jp404907b




Naomi Rom, Barak Hirshberg, Yehuda Zeiri, David Furman, Sergey V. Zybin, William A. Goddard and Ronnie Kosloff

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