Pyracylene rearrangement classes of fullerene isomers
✍ Scribed by D. Babić; N. Trinajstić
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 431 KB
- Volume
- 17
- Category
- Article
- ISSN
- 0097-8485
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📜 SIMILAR VOLUMES
We propose a new fullerene growth model with a novel picture for selective isomer formation of higher fullerenes. The model described supposes that the fullerene intermediates, consisting of a 5-and &membered ring network (a cap-like structure), undergo a facile interconversion by a "pentagon migrat
Semi-empirical and ab initio calculations are reported for the five Crs fullerenes with isolated pentagons. The optimized geometries and relative stabilities are discussed. The D3s structure previously favored on the basis of simple Hilckel arguments is found to be the least stable isomer at all the