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Qualitatively graph-theoretical study on stability and formation of fullerenes and nanotubes

✍ Scribed by Congjie Zhang; Zexing Cao; Chengde Lin; Qianer Zhang

Book ID
111784168
Publisher
SP Science China Press
Year
2003
Tongue
English
Weight
304 KB
Volume
46
Category
Article
ISSN
1674-7291

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πŸ“œ SIMILAR VOLUMES

Theoretical studies of structures and st
Theoretical studies of structures and stabilities of a new odd-numbered fullerene dimer: C141
✍ Xingfa Gao; Hui Yuan; Zhenling Chen; Yuliang Zhao πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 155 KB

## Abstract The possible isomers of a newly synthesized C~141~ molecule are calculated using MNDO, AM1, PM3, B3LYP/3‐21G, and B3LYP/6‐31G(d) methods. The geometry optimizations showed that the isomer 8‐8 has the lowest total energy in all 64 possible structures of C~141~. Unlike those of C~130~, C~