The electronic structure and spectroscopy of C~-o is examined using the intermediate neglect of differential overlap (INDO) model. The ground state of the ion distorts from Ih symmetry to either Dsd, D3d or D2h symmetry. The present study reveals that the Dsd structure is the equilibrium structure w
Ab initio MO study of the C60 anion radical: the Jahn—Teller distortion and electronic structure
✍ Scribed by Nobuaki Koga; Keiji Morokuma
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 471 KB
- Volume
- 196
- Category
- Article
- ISSN
- 0009-2614
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