Sample
ΔH
f
(Kcal/mol)
AM1
PM3
Methyl-pioglitazone
-132.54
-140.87
β-CD
-1418.65
-1425.05
Methyl-pioglitazone-β-CD
-1621.45
-1687.12
Table 2:
Heats of formation of methyl-pioglitazone, β-CD, and methyl-pioglitazone- β-CD inclusion complex.
