## Abstract Calculations at the STO‐3G and 4–31G levels have been carried out on propylamine and ethylmethylamine, using geometries determined by molecular mechanics by allowing complete molecular relaxation in all degrees of freedom except for torsion about the central bond, and at 30° increments
The potential function for the internal rotation and the derived potential energy distribution of the normal modes for 3-chloropropionyl chloride based on ab initio calculations
✍ Scribed by Hassan M. Badawi; Wolfgang Förner
- Book ID
- 114143494
- Publisher
- Elsevier Science
- Year
- 1999
- Tongue
- English
- Weight
- 335 KB
- Volume
- 488
- Category
- Article
- ISSN
- 0166-1280
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## Abstract Calculations at the STO‐3G and 4–31G levels have been carried out on propanol and ethyl methyl ether, with geometries obtained from molecular mechanics calcualations. Full relaxation was allowed in all degrees of freedom except for the torsion about the central bond, which was varied at
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