A number of tautomeric geometries of 3-acetyl tetramic acid and 3-acetyl tetronic acid were examined using the AM 1 and PM3 methods. The results are compared with experimental data and with studies using MNDO and older methods, with the conclusion that both AM 1 and PM3 provide satisfactory models o
A semiempirical MO study of tautomerism and the electronic structure of barbituric acid
โ Scribed by Rita Kakkar; Vandana Katoch
- Publisher
- Indian Academy of Sciences,Royal Society of Chemistry
- Year
- 1998
- Tongue
- English
- Weight
- 506 KB
- Volume
- 110
- Category
- Article
- ISSN
- 0253-4134
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