Theoretical investigation for the reaction of NO2(2A1) with CO(1∑+) catalyzed by Ti+(X4F)

Journal of Molecular Structure: THEOCHEM

Volumn 869, Issue 1-3, 2008, Pages 89-93

  Zhang, Jian Hui ^a,b   Wang, Yong Cheng ^a   Geng, Zhi Yuan ^a   Liu, Hui Wen ^a   Chen, Xiao Xia ^c  

^a NORTHWEST NORMAL UNIVERSITY   (China)

^b Lanzhou Resources and Environment Voc Tech College ^*  (China)

^c SICHUAN UNIVERSITY OF SCIENCE AND ENGINEERING   (China)

Author keywords

DFT; Minimum energy crossing points (MECPs); NO2(2A1) and CO(1 +); Reaction mechanism; Ti+(X4F)

Indexed keywords

EID: 54049083746     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.08.035     Document Type: Article

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