A theoretical study of explosive sensitizers

Structural Chemistry

Volumn 18, Issue 1, 2007, Pages 81-86

  Zeng, Xiu Lin ^a   Chen, Wang Hua ^a   Liu, Jia Cong ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Charge distribution; DFT; Explosive sensitizers; Frontier orbital energy (EHOMO ELUMO); Mulliken populations

Indexed keywords

EID: 33846799295     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11224-006-9129-7     Document Type: Article

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