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. 2012 Nov 26;42(17):6021–6032. doi: 10.1039/c2dt31807e

Fig. 9. Conformational energy difference for the Na+–Ins(1,3,4,5,6)P 5 complexes with and without coordinated water (RB3LYP/LANL2DZ geometries). The ΔE values for the ligand are shown for comparison.

Fig. 9