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

• 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 +
• Online Access: http://scholarbank.nus.edu.sg/handle/10635/107025
• Institution: National University of Singapore

10.1016/j.theochem.2006.06.040