Evolution of the dizincocene metal-metal bond in the series Zn2L2 where L = H, CH3, F, η5-C5H5

Journal of Molecular Structure: THEOCHEM

Volumn 776, Issue 1-3, 2006, Pages 113-123

  Philpott, Michael R ^a,b   Kawazoe, Yoshiyuki ^a  

^a TOHOKU UNIVERSITY   (Japan)

^b NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

Density functional theory; Dizincocene; Electron localization function (ELF); Electronic structure; Kohn Sham level; Partial charge density; Quantum electronic structure; Zincous ion Zn22+; Zn2(C5H5)2; Zn2(CH3)2; Zn2F2; Zn2H2

Indexed keywords

EID: 33749429596     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.08.038     Document Type: Article

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