1-c-6aq
-16.394 kcal/mol
1-c-9aq
-21.271 kcal/mol
1-c-13aq
-25.746 kcal/mol
Fig. 7 Calculated adducts of conformer 1-c with explicit water molecules. Both ball-and-sticks
and space-filling models are shown, to better highlight the adducts’ geometries. The name of the
adduct is reported on the left, and the molecule-water interaction energy on the right
Ab-Initio and DFT Study of the Muchimangin-B Molecule
111
-16.394 kcal/mol
1-c-9aq
-21.271 kcal/mol
1-c-13aq
-25.746 kcal/mol
Fig. 7 Calculated adducts of conformer 1-c with explicit water molecules. Both ball-and-sticks
and space-filling models are shown, to better highlight the adducts’ geometries. The name of the
adduct is reported on the left, and the molecule-water interaction energy on the right
Ab-Initio and DFT Study of the Muchimangin-B Molecule
111