Thermal decomposition behaviour of RDX by first-principles molecular dynamics simulation

Molecular Simulation

Volumn 34, Issue 10-15, 2008, Pages 961-965

  Xu, Jingcheng ^a   Zhao, Jijun ^a   Sun, Lizhong ^b  

^a DALIAN UNIVERSITY OF TECHNOLOGY   (China)

^b XIANGTAN UNIVERSITY   (China)

Author keywords

Density functional theory; Molecular dynamics; RDX; Thermal decomposition

Indexed keywords

DECOMPOSITION; DENSITY FUNCTIONAL THEORY; MOLECULAR DYNAMICS; PHOTORESISTS; PYROLYSIS; QUANTUM CHEMISTRY; THERMOGRAVIMETRIC ANALYSIS;

A DENSITIES; DECOMPOSITION PROCESSES; ENERGY TRANSFORMATIONS; INITIAL STAGES; MOLECULAR DYNAMICS SIMULATIONS; POSITIVE CHARGES; RDX; SIMULATION TIMES; THERMAL DECOMPOSITION; THERMAL DECOMPOSITIONS;

DYNAMICS;

EID: 56749173502     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020802162892     Document Type: Article

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