Vibrational properties of molecule and crystal of TATB: A comparative density functional study

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 358, Issue 1, 2006, Pages 63-69

  Liu, Hong ^a   Zhao, Jijun ^b   Ji, Guangfu ^c   Wei, Dongqing ^d,e   Gong, Zizheng ^a,f  

^a SOUTHWEST JIAOTONG UNIVERSITY   (China)

^b DALIAN UNIVERSITY OF TECHNOLOGY   (China)

^c INSTITUTE OF FLUID PHYSICS   (China)

^d SHANGHAI JIAO TONG UNIVERSITY   (China)

^e Dept of Electrical and Computer Engineering   (Canada)

^f BEIJING INSTITUTE OF SPACECRAFT SYSTEM ENGINEERING   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL STRUCTURE; CRYSTALS; GASES; MOLECULES;

CRYSTAL PHASE; DENSITY-FUNCTIONAL STUDY; EXPERIMENTAL SPECTRA; GASPHASE; INFRARED SPECTRUM; INTERMOLECULAR INTERACTIONS; INTERNAL MODES; VIBRATIONAL PROPERTIES;

DENSITY FUNCTIONAL THEORY;

EID: 33746612841     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physleta.2006.04.096     Document Type: Article

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