## Abstract The conformational free energies for some 2โsubstituted butanes where X = F, Cl, CN, and CCH were calculated using G3โB3, CBSโQB3, and CCSD(T)/6โ311++G(2d,p) as well as other theoretical levels. The above methods gave consistent results with free energies relative to the trans conformer
Conformational Effects on Optical Rotation. 2-Substituted Butanes
โ Scribed by Wiberg, Kenneth B.; Wang, Yi-gui; Vaccaro, Patrick H.; Cheeseman, James R.; Luderer, Matthew R.
- Book ID
- 121233978
- Publisher
- American Chemical Society
- Year
- 2005
- Tongue
- English
- Weight
- 190 KB
- Volume
- 109
- Category
- Article
- ISSN
- 1089-5639
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