Theoretical study of activation Fe-O bond of FeO+ by CO in the gas phase

Journal of Molecular Structure: THEOCHEM

Volumn 858, Issue 1-3, 2008, Pages 26-30

  Wang, Yong Cheng ^a   Chen, Dong Ping ^a   Geng, Zhi Yuan ^a   Zhang, Jian Hui ^a  

^a NORTHWEST NORMAL UNIVERSITY   (China)

Author keywords

Crossing points (CPs); DFT theory; Molecule orbital (MO); Natural bond orbital (NBO)

Indexed keywords

EID: 42949154700     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.02.022     Document Type: Article

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