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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

โœ 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

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๐Ÿ“œ SIMILAR VOLUMES


A comparison of conformational energies
โœ Klaus Gundertofte; Jonas Palm; Ingrid Pettersson; Anders Stamvik ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 778 KB

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

A Conformational Study on Silacyclohexan
โœ Ingvar Arnason; Gudjon K. Thorarinsson; Eberhard Matern ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› John Wiley and Sons ๐ŸŒ German โš– 545 KB

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