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Calculations of the C2fragmentation energies of higher fullerenes C80and C82

✍ Scribed by Grygoriy A. Dolgonos; Gilles H. Peslherbe

Book ID
106239810
Publisher
Springer-Verlag
Year
2007
Tongue
English
Weight
169 KB
Volume
13
Category
Article
ISSN
1610-2940

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Electronic structures of mono-anionized
Electronic structures of mono-anionized higher fullerenes. Cβˆ’76, Cβˆ’78, Cβˆ’82 and Cβˆ’84
✍ Mayumi Okada; Kenji Okahara; Kazuyoshi Tanaka; Tokio Yamabe πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 616 KB

The electronic structures of mono-anionized higher fullerenes (C,, C,, C, and C, ) associated with the major experimental product have been investigated bused on their optimized structures employing the semi-empirical (MIND0/3) molecular orbital calculations. Not a very drastic structural change has