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

  • William A. Goddard III, Naomi Rom, Barak Hirshberg, Yehuda Zeiri, David Furman, Sergey V. Zybin, Ronnie Kosloff
  • The Journal of Physical Chemistry C, October 2013, American Chemical Society (ACS)
  • DOI: 10.1021/jp404907b

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http://dx.doi.org/10.1021/jp404907b

The following have contributed to this page: Barak Hirshberg