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Preparation and structure of crystals of the metallofullerene Sc2@C84

✍ Scribed by Beyers, R.; Kiang, C.-H.; Johnson, R. D.; Salem, J. R.; de Vries, M. S.; Yannoni, C. S.; Bethune, D. S.; Dorn, H. C.; Burbank, P.; Harich, K.

Book ID
109789198
Publisher
Nature Publishing Group
Year
1994
Tongue
English
Weight
620 KB
Volume
370
Category
Article
ISSN
0028-0836

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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