Conformations of silicon-containing rings: Part 1. A conformational study on 1,3,5-trisilacyclohexane. Comparison of ab initio, semiempirical, and molecular mechanics calculations. Conformational energy surface of 1,3,5-trisilacyclohexane
โ Scribed by Ingvar Arnason; Gudjon K Thorarinsson; Eberhard Matern
- Book ID
- 114143143
- Publisher
- Elsevier Science
- Year
- 1998
- Tongue
- English
- Weight
- 508 KB
- Volume
- 454
- Category
- Article
- ISSN
- 0166-1280
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Conformational energies of different conformers have been calculated for a series of molecules using various molecular mechanics and semiempirical methods. The quality of the force fields has also been tested by calculating barriers to rotation about carbon-carbon bonds. The molecular mechanics forc
The structures and relative energies for the basic conformations of silacyclohexane 1 have been calculated using HF, RI-MP2, RI-DFT and MM3 methods. All methods predict the chair form to be the dominant conformation and all of them predict structures which are in good agreement with experimental dat