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C68 Fullerene Isomers, Anions, and their Metallofullerenes: Charge-Stabilizing Different Isomers

✍ Scribed by De-Li Chen; Wei Quan Tian; Ji-Kang Feng; Chia-Chung Sun


Book ID
102809845
Publisher
John Wiley and Sons
Year
2008
Tongue
English
Weight
522 KB
Volume
9
Category
Article
ISSN
1439-4235

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✍ Yan-Hong Cui; Wei Quan Tian; Ji-Kang Feng; De-Li Chen πŸ“‚ Article πŸ“… 2008 πŸ› John Wiley and Sons 🌐 English βš– 397 KB

## 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/3‐21G//SVWN/STO‐3G, B3LYP/6‐31G(d)//HCTH/3‐21G, and B3LYP/6‐311G(d)//B3LYP/6‐31G(d) level. C~64~(__D~2~__:0003) with the lowe