Research Article
Tautomerism in 11-Hydroxyaklavinone: A DFT Study
Table 1
Total energy (au) values of the structures considered.
| Structure | RB3LYP/6–31G(d) | RB3LYP/6–31G(d,p) | Total energy | Corrected total energy | Total energy | Corrected total energy |
| A1 | −1527.42 | −1527.02 | −1527.47 | −1527.07 | A2 | −1527.44 | −1527.04 | −1527.49 | −1527.10 | A3 | −1527.45 | −1527.05 | −1527.50 | −1527.10 | A4 | −1527.44 | −1527.04 | −1527.49 | −1527.09 | A5 | −1527.44 | −1527.04 | −1527.49 | −1527.09 | A6 | −1527.44 | −1527.04 | −1527.49 | −1527.10 |
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