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Magnetic Properties and Crystal Structure of Solvent-Free Sc@C82 Metallofullerene Microcrystals

✍ Scribed by Yasuhiro Ito; Wataru Fujita; Toshiya Okazaki; Toshiki Sugai; Kunio Awaga; Eiji Nishibori; Masaki Takata; Makoto Sakata; Hisanori Shinohara


Publisher
John Wiley and Sons
Year
2007
Tongue
English
Weight
284 KB
Volume
8
Category
Article
ISSN
1439-4235

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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/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