Electronic structure of Ti8C12 cluster
β Scribed by Han Rushan; Wang Sheng; D.L. Yin; Zheng Qing Qi; Pan Wei
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 203 KB
- Volume
- 86
- Category
- Article
- ISSN
- 0038-1098
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π SIMILAR VOLUMES
A 'metcar' molecule of twenty-one atoms, Ti s C 13, is predicted to be a chemically stable, electronically closed-shell species in an endohedral form with one carbon atom inside a Ti& cage of tetrahedral (Td) symmetry. A class of transition-metal carbon clusters, metallocarbohedrenes, or metcars fo
The electronic structure of the truncated-icosahedral Cbo cluster ("footballene") is theoretically examined by performing a linear muffin-tin orbitals (LMTO) calculation.
## Abstract The crystal field splitting and __g__ values in SrF~2~:Tm^2+^ were calculated within the framework of the (TmF~8~)^6β^ cluster using the HeitlerβLondon method. Two sorts of numerical HartreeβFock functions for Tm^2+^ electrons were used in the calculations. It is shown, that a better ag