Ab initio study of reactions of sym-triazine

Journal of Physical Chemistry

Volumn 100, Issue 14, 1996, Pages 5681-5689

  Pai, Sharmila V ^a,b   Chabalowski, Cary F ^a   Rice, Betsy M ^a  

^a U S ARMY RESEARCH LABORATORY   (United States)

^b NATIONAL RESEARCH COUNCIL   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL REACTIONS; CYANIDES; DECOMPOSITION; EXPLOSIVES; INORGANIC ACIDS; MOLECULAR DYNAMICS; PHYSICAL CHEMISTRY;

AB INITIO CALCULATIONS; GEOMETRY OPTIMIZATION; HYDROGEN CYANIDE; POTENTIAL ENERGY SURFACES; REACTION MECHANISMS; TRIAZINES;

NITROGEN COMPOUNDS;

EID: 0030568454     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9532778     Document Type: Article

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