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Toward a Reversible Isolation of a C 20 Fullerene Inside a Tetraureacalix[4]arene Dimer. A Theoretical Study

✍ Scribed by Dolgonos, Grygoriy; Lukin, Oleg; Elstner, Marcus; Peslherbe, Gilles H.; Leszczynski, Jerzy

Book ID
126133678
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
93 KB
Volume
110
Category
Article
ISSN
1089-5639

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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~