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Published in 2017 at "International Journal of Quantum Chemistry"
DOI: 10.1002/qua.25426
Abstract: Experimental and theoretical studies have proposed different initiation reactions for the decomposition of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX). Three primary reactions are considered to start RDX decomposition: homolytic NN bond fission, HONO elimination, and concerted fission of CN…
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Keywords:
external forces;
energy;
rdx;
effect external ... See more keywords
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Published in 2017 at "Vacuum"
DOI: 10.1016/j.vacuum.2017.02.022
Abstract: Abstract A theoretical study is shown for the structural, electronic, mechanical and surface properties of α-type hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) in the framework of near-first-principles density-functional theory. The calculated results indicate that α-RDX is an insulator material…
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Keywords:
hexahydro trinitro;
sensitivity;
trinitro triazine;
anisotropic impact ... See more keywords