Reactive molecular dynamics simulation of the thermal decomposition mechanisms of 4,10-dinitro-2,6,8,12-tetraoxa-4,10-diazatetracyclo[5.5.0.05,9.03,11]dodecane (TEX)

Title
Reactive molecular dynamics simulation of the thermal decomposition mechanisms of 4,10-dinitro-2,6,8,12-tetraoxa-4,10-diazatetracyclo[5.5.0.05,9.03,11]dodecane (TEX)
Authors
Keywords
TEX, Molecular dynamics, Thermal decomposition, Isowurtzitane cage, ReaxFF/lg
Journal
COMBUSTION AND FLAME
Volume 202, Issue -, Pages 303-317
Publisher
Elsevier BV
Online
2019-02-02
DOI
10.1016/j.combustflame.2019.01.014

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