A theoretical study of the reaction of La+ with N2O in the gas phase

Journal of Molecular Structure: THEOCHEM

Volumn 944, Issue 1-3, 2010, Pages 89-96

  Liu, Hui Wen ^a   Wang, Yong Cheng ^a   Geng, Zhi Yuan ^a   Lv, Ling Ling ^a   Yan, Bing ^b   Wang, Qiang ^a   Cui, Dan Dan ^a  

^a NORTHWEST NORMAL UNIVERSITY   (China)

^b JILIN UNIVERSITY   (China)

Author keywords

Density functional theory (DFT); Minimum energy crossing point (MECP); Reaction mechanism; Spin orbit coupling (SOC)

Indexed keywords

EID: 76749137064     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.12.031     Document Type: Article

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