Spin-forbidden reaction mechanism of CO2 cleavage activated by Ta+ in gas phase

Acta Chimica Sinica

Volumn 68, Issue 22, 2010, Pages 2305-2311

  Liu, Lingling ^a   Wang, Yongcheng ^b   Zhang, Li ^a  

^a LANZHOU CITY UNIVERSITY   (China)

^b NORTHWEST NORMAL UNIVERSITY   (China)

Author keywords

Density functional theory; Intersystem crossing probability; Minimum energy crossing point; Spin forbidden reaction; Spin orbital coupling; Ta+ activation

Indexed keywords

EID: 84884682826     PISSN: 05677351     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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