Quantum chemical investigation on the reaction mechanism of OBrO with NO

Gaodeng Xuexiao Huaxue Xuebao/Chemical Journal of Chinese Universities

Volumn 24, Issue 9, 2003, Pages 1648-1651

  Zhao, Min ^a,b   Pan, Xiu Mei ^a   Liu, Peng Jun ^a   Sun, Hao ^a   Su, Zhong Min ^a   Wang, Rong Shun ^a  

^a NORTHEAST NORMAL UNIVERSITY   (China)

^b BOHAI UNIVERSITY   (China)

Author keywords

DFT method; Micro reaction mechanism; OBrO

Indexed keywords

ADDITION-ELIMINATION; DFT METHOD; FREQUENCY ANALYSIS; OBRO; QUANTUM CHEMICAL INVESTIGATION; REACTION MECHANISM; TRANSITION STATE; TRIPLET POTENTIAL;

NITROGEN OXIDES;

QUANTUM CHEMISTRY;

EID: 33750502582     PISSN: 02510790     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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