DFT study of the spin-forbidden reaction between Ti+ and N2O

Journal of Molecular Structure: THEOCHEM

Volumn 774, Issue 1-3, 2006, Pages 59-65

  Lü, Ling Ling ^a   Liu, Xin Wen ^a   Wang, Yong Cheng ^b   Wang, Han Qin ^c  

^a TIANSHUI NORMAL UNIVERSITY   (China)

^b NORTHWEST NORMAL UNIVERSITY   (China)

^c INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

Author keywords

Crossing seam; DFT; Reaction mechanism; Ti+(4F) and N2O(X1 )

Indexed keywords

EID: 33748463354     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.07.014     Document Type: Article

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