Slanina, Zdenek and Uhlik, Filip and Lee, Shyi-Long and Adamowicz, Ludwik and Nagase, Shigeru (2007) Calculations on endohedral C-74 complexes. JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, 7 (4-5). pp. 1339-1345.
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Abstract
While empty C-74 is still a rather elusive fullerene, its endohedral derivatives are well established. The report surveys computations for three of C-74-based endohedrals-Ca@C-74, Ba@C-74, and Yb@C-74. A set of six C-74 cages is considered, namely one cage with isolated pentagons, three isomers with a pentagon-pentagon junction, two structures with one pair of connected pentagons, and one heptagon. Special interest is paid to the Gibbs-energy evaluations for estimations of the relative populations.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | fullerenes; metallofullerenes; Gibbs-energy evaluations; optimized syntheses; carbon-based nanotechnology |
| Subjects: | Material Science > Nanofabrication processes and tools Physical Science > Nano objects |
| ID Code: | 2909 |
| Deposited By: | Farnush Anwar |
| Deposited On: | 13 Jan 2009 12:38 |
| Last Modified: | 13 Jan 2009 12:38 |
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