Theoretical study of structures and dynamic properties of Sc3@C82
β Scribed by Kaoru Kobayashi; Shigeru Nagase
- Book ID
- 108313052
- Publisher
- Elsevier Science
- Year
- 1999
- Tongue
- English
- Weight
- 443 KB
- Volume
- 313
- Category
- Article
- ISSN
- 0009-2614
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π SIMILAR VOLUMES
Sc 3 @C 82 has been investigated by X-and W-band EPR. The isotropic and anisotropic hyperfine interaction between the electron spin and the 45 Sc nuclei of the Sc 3 -triangle was evaluated. In addition, a statistical model analyzing the 13 C hyperfine coupling of the C 82 cage is applied and its con
## Abstract To provide theoretical insight into the structures and properties of Sc~3~N@C~80~, which has been isolated in high yield and purity as a new stable endohedral metallofullerene, density functional calculations are carried out for the Sc~3β__n__~La~__n__~N@C~80~ (__n__=0β3) series. Becaus