## Abstract __Ab initio__ calculations were performed on 2,4‐pyridinediol, 4‐hydroxy‐2‐pyridinone, and 2hydroxy‐4‐pyridinone at the HF/3‐21__G__ level with full geometry optimization. Two conformations of the hydroxyl group were considered for each tautomer. Corrections for polarization functions,
✦ LIBER ✦
Ab initio study of the structure and tautomerism in 7-hydroxy-1-indanone
✍ Scribed by Ana M. Graña; Miguel A. Rios; Jesús Rodriguez
- Book ID
- 113257195
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 258 KB
- Volume
- 226
- Category
- Article
- ISSN
- 0166-1280
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