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
✦ LIBER ✦
Formation and stability of dodecahedral and fcc structures in metal—carbon clusters
✍ Scribed by B.V. Reddy; S.N. Khanna
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 479 KB
- Volume
- 209
- Category
- Article
- ISSN
- 0009-2614
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