The potential energy surface of the singlet silylenoid H,SiNaF has been examined by ab initio calculations. The 3-21G and 6-3 1 G\* basis sets were used for full geometry optimizations. Four equilibrium structures and three isomeric transition states were located. The calculations have shown that th
Theoretical studies on the structures and reactivity of stannylenoids I. The structures and isomerization of stannylenoid H2SnLiF
β Scribed by Qiu Hua-Yu; Deng Cong-Hao
- Publisher
- John Wiley and Sons
- Year
- 2010
- Tongue
- English
- Weight
- 302 KB
- Volume
- 14
- Category
- Article
- ISSN
- 0256-7660
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Intermediate neglect of differential overlap INDO calculations were used to study the structure of C CH . It was found that the CH group is mainly added to the C αC 70 2 2 I II Ε½ . C represents the first kind of carbon atom and so on or the C αC bond in C and I III III 70 a cyclopropane feature with