The isomers of small carbon clusters
β Scribed by D. Zajfman; D. Kella; O. Heber; D. Majer; H. Feldman; Z. Vager; R. Naaman
- Publisher
- Springer
- Year
- 1993
- Tongue
- English
- Weight
- 361 KB
- Volume
- 26
- Category
- Article
- ISSN
- 1434-6060
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Recently, experimental evidence has been obtained for the existence of dianionic carbon clusters as small as C:-. So far, no theoretical evidence has been achieved for the electronic stability of C+-, which is attributed to the underlying assumption of C:-having a linear structure. Linear, quasi-lin
Interaction of small carbon clusters is studied using the MIND0/3 method. Energetic barriers for coagulation and isomerization are estimated. It is shown that coagulation of two linear chains leads to formation of a chain with possible closure to a monocyclic ring, while a linear chain and a ring re