Electronic structure of dimetallocene molecules: Dizincocene Zn2(η5-C5Me5) 2

Journal of Molecular Structure: THEOCHEM

Volumn 773, Issue 1-3, 2006, Pages 43-52

  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 Zn2 2 +

Indexed keywords

EID: 33748464558     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.06.040     Document Type: Article

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