| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9577717 | Chemical Physics Letters | 2005 | 4 Pages |
Abstract
The results of the quantum chemical study of cyclic C8, C10 and C12 carbon clusters in the B3LYP/aug-cc-pVDZ approximation are presented. For the C8 cluster, two local minima of the D4d and C4h symmetry and the crown-like transition state were found. Atomization energies and thermochemical data (TÂ =Â 100-5000Â K) are tabulated for the title compounds.
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Authors
V.I. Baranovski,