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Substitution Patterns in Mono-BN-Fullerenes: C n ( n = 20, 24, 28, 32, 36, and 40)

โœ Scribed by Pattanayak, Jayasree; Kar, Tapas; Scheiner, Steve

Book ID
123622158
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
131 KB
Volume
108
Category
Article
ISSN
1089-5639

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๐Ÿ“œ SIMILAR VOLUMES

Non-local density functional calculation
Non-local density functional calculations of binding energies of carbon fullerenes Cn, with n = 10, 12, 16, 20, 24, 28, 32, 36, 50, 60, 70, 80, 90, 100, 110 and 120
โœ Noriyuki Kurita; Kinya Kobayashi; Hiroki Kumahora; Kazutami Tago; Kunio Ozawa ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 503 KB

Using a molecular orbital method based on the non-local density functional formalism, we have calculated the binding energies and HOMO-LUMO gaps of carbon fullerenes C,, assuming that all bond lengths in each fullerene are the same. The results are as follows: ( I ) The fullerenes containing quadril