Conformational energy profiles were calculated for T ~, the C-C-C=O torsion, and 7 2 , the C -C -C -C torsion, of methyl butanoate, using Pulay's ab initio gradient procedure at the 4-21G level with geometry optimization at each point. In addition, the structures of seven conformations were fully re
Ab initio studies of structural features not easily amenable to experiment: Part V. Conformational analysis of keto- and enol-acetone
✍ Scribed by P. Bowers; Lothar Schäfer
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 770 KB
- Volume
- 69
- Category
- Article
- ISSN
- 0022-2860
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