Ab initio molecular dynamics study on the initial chemical events in nitramines: Thermal decomposition of CL-20

Journal of Physical Chemistry B

Volumn 112, Issue 35, 2008, Pages 11005-11013

  Isayev, Olexandr ^a   Gorb, Leonid ^a,b   Qasim, Mo ^b   Leszczynski, Jerzy ^a,b  

^a JACKSON STATE UNIVERSITY   (United States)

^b US ARMY ENGINEER RESEARCH AND DEVELOPMENT CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DECOMPOSITION; MOLECULAR DYNAMICS; PHOTORESISTS; PYROLYSIS; QUANTUM CHEMISTRY; REACTION KINETICS;

AB INITIO MOLECULAR DYNAMICS; AB INITIO MOLECULAR DYNAMICS SIMULATIONS; CHEMICAL EVENTS; HIGH ENERGIES; HOMOLYSIS; NITRAMINES; REACTION CHANNELS; SOLID PHASES; THERMAL DECOMPOSITION; UNIMOLECULAR DECOMPOSITIONS;

DYNAMICS;

EID: 52349104775     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp804765m     Document Type: Article

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