Table 2.
Total energy and heat of formation of 5-chlorocurcumin.
| Method | Total energy (Kcal/Mol) | Heat of formation (Kcal/Mol) |
|---|---|---|
| AM1 | −113534.8813 | −99.534 |
| PM3 | −105232.4967 | −104.2199 |
| MNDO | −113377.2376 | −110.2337 |
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