Electronic structures of 5d transition metal monoxides by density functional theory

Theoretical Chemistry Accounts

Volumn 117, Issue 1, 2007, Pages 115-122

  Yao, C ^a   Guan, W ^a   Song, P ^a   Su, Z M ^a   Feng, J D ^a   Yan, L K ^a   Wu, Z J ^b  

^a NORTHEAST NORMAL UNIVERSITY   (China)

^b CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY   (China)

Author keywords

5d metal monoxide; Density functional theory; Electron affinity; Ionization potential; Spectroscopic constants

Indexed keywords

EID: 33751206858     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-006-0147-8     Document Type: Article

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