Ab initio and nonlocal density functional study of 1,3,5-trinitro-s-triazine (RDX) conformers

Journal of Physical Chemistry A

Volumn 101, Issue 46, 1997, Pages 8720-8726

  Rice, Betsy M ^a   Chabalowski, Cary F ^a  

^a U S ARMY RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; CRYSTAL SYMMETRY; INFRARED SPECTROSCOPY; OPTIMIZATION; QUANTUM THEORY;

DENSITY FUNCTIONAL THEORY; MOLLER PLESSET THEORY; TRINITROTRIAZINE;

NITROGEN COMPOUNDS;

EID: 0031274946     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp972062q     Document Type: Article

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