Sc2@C76(C2): a new isomerism in fullerene structure
β Scribed by Chun-Ru Wang; Petra Georgi; Lothar Dunsch; Tsutomu Kai; Tetsuo Tomiyama; Hisanori Shinohara
- Book ID
- 104443690
- Publisher
- Elsevier Science
- Year
- 2002
- Tongue
- English
- Weight
- 174 KB
- Volume
- 2
- Category
- Article
- ISSN
- 1567-1739
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## Abstract The 3465 classical isomers of __C__~64~ fullerene have been investigated by quantum chemical methods PM3, and the most stable isomers have been refined with HCTH/3β21G//SVWN/STOβ3G, B3LYP/6β31G(d)//HCTH/3β21G, and B3LYP/6β311G(d)//B3LYP/6β31G(d) level. C~64~(__D~2~__:0003) with the lowe
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