A density functional theory study of multioxomolybdenum(VI) compounds [Mo2O6(imi)6] (imi=imidazole) and Mo2O6: Structure, bonding, and properties

Journal of Molecular Structure: THEOCHEM

Volumn 952, Issue 1-3, 2010, Pages 61-66

  Tong, Yi Ping ^a   Lin, Yan Wen ^a  

^a HANSHAN NORMAL UNIVERSITY   (China)

Author keywords

DFT; Electronic structure; Imidazole; Molybdenum(VI); The partial density of states (PDOS)

Indexed keywords

EID: 77954818440     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2010.04.022     Document Type: Article

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