The electronic and molecular structure of carbon clusters: C8and C10
✍ Scribed by V. Parasuk; J. Almlöf
- Publisher
- Springer
- Year
- 1992
- Tongue
- English
- Weight
- 731 KB
- Volume
- 83
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
The electronic energies and geometries of the 'A, ring and the 'C.$ linear isomers of C,, have been computed and compared at the HF, MP2 and DFT levels. Previous DFT calculations predicted the ring to be more stable than the linear form by about 20-30 kcal/mol, which is in apparent conflict with a r
The electronic structure of a CeO cluster, the soccer ball-shaped structure determined from the recent X-ray study by Hawkins et al., and of its endohedral complex KCGo were calculated using the self-consistent-field discrete variational (DV) method in the local density theoretical framework. The ca