A theoretical study of five nitrates: Electronic structure and bond dissociation energies

Journal of Molecular Structure: THEOCHEM

Volumn 810, Issue 1-3, 2007, Pages 47-51

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

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Bond dissociation energy (BDE); Frontier orbital energy; Nitrate; Unimolecular homolytical bond dissociation

Indexed keywords

EID: 34247125611     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.01.040     Document Type: Article

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