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Structures, Stabilities, and Electronic and Optical Properties of C 62 Fullerene Isomers

✍ Scribed by Cui, Yan-Hong; Chen, De-Li; Tian, Wei Quan; Feng, Ji-Kang

Book ID
120041325
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
578 KB
Volume
111
Category
Article
ISSN
1089-5639

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πŸ“œ SIMILAR VOLUMES

Structures, stabilities, electronic, and
Structures, stabilities, electronic, and optical properties of C64 fullerene isomers, anions (C and C644βˆ’), metallofullerene Sc2@C64, and Sc2C2@C64
✍ 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