Calculations of the bond dissociation energies for NO2 scission in some nitro compounds

Structural Chemistry

Volumn 16, Issue 5, 2005, Pages 457-460

  Shao, Juxiang ^a,b   Cheng, Xinlu ^a   Yang, Xiangdong ^a  

^a SICHUAN UNIVERSITY   (China)

^b YIBIN UNIVERSITY   (China)

Author keywords

Bond dissociation energy; CBS Q model; CCSD method; DFT; Nitro compounds

Indexed keywords

EID: 24644458194     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11224-005-4334-3     Document Type: Article

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