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

• Main Authors: Philpott, M.R., Kawazoe, Y.
• Other Authors: MATERIALS SCIENCE
• Format: Article
• Published: 2014
• Subjects: Density functional theory; Dizincocene; Electron localization function (ELF); Electronic structure; Kohn-Sham level; Partial charge density; Quantum electronic structure; Zincous ion Zn2 2+; Zn2(C5H5)2; Zn2(CH3)2; Zn2F2; Zn2H2
• Online Access: http://scholarbank.nus.edu.sg/handle/10635/107034
• Institution: National University of Singapore

10.1016/j.theochem.2006.08.038