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

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

10.1016/j.theochem.2006.06.040

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Bibliographic Details
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
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Institution: National University of Singapore
Description
Summary:10.1016/j.theochem.2006.06.040

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