Kernel energy method applied to an energetic nitrate ester

International Journal of Quantum Chemistry

Volumn 111, Issue 10, 2011, Pages 2180-2186

  Huang, Lulu ^a   Massa, Lou ^b  

^a NAVAL RESEARCH LABORATORY   (United States)

^b CITY UNIVERSITY OF NEW YORK   (United States)

Author keywords

BSSE; explosive parameters; HMX; nitrogroups; quantum mechanics

Indexed keywords

BASIS SET SUPERPOSITION ERRORS; BSSE; COMPUTER PROGRAM; CRYSTAL GEOMETRY; KERNEL ENERGY METHOD; MOLD CASTING; NEIGHBORING MOLECULES; NITRATE ESTERS; NITRO GROUP; QUANTUM CHEMICAL; QUANTUM MECHANICS; ROOM TEMPERATURE;

ESTERIFICATION; ESTERS; EXPLOSIVES; NITRATION; QUANTUM CHEMISTRY; QUANTUM THEORY;

MECHANICS;

EID: 79955454668     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22503     Document Type: Article

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