Theoretical study on the detailed reaction mechanisms of carbonyl oxide with formic acid

Journal of Molecular Structure: THEOCHEM

Volumn 916, Issue 1-3, 2009, Pages 159-167

  Long, Bo ^a   Cheng, Jia Rong ^a   Tan, Xin feng ^b   Zhang, Wei jun ^c  

^a GUIZHOU UNIVERSITY   (China)

^b CHONGQING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

^c ANHUI INSTITUTE OF OPTICS AND FINE MECHANICS   (China)

Author keywords

B3LYP; Carbonyl oxide; CBS QB3; Formic acid; Reaction mechanisms

Indexed keywords

EID: 70350726204     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.09.028     Document Type: Article

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