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. 2013 Jun 10;138(22):224504. doi: 10.1063/1.4808376

Figure 3.

Figure 3

Average cosine of angle between the water dipole and the direction vector from solute atom center to the water oxygen, of the water molecules in the first hydration shell (< 4 Å from any solute atom center) as a function of solute-solvent electrostatic coupling parameter, for various atoms in CB[7] (a) and β-CD (b). Only one monomeric unit is shown here for clarity. The red line corresponds to ⟨cosθ⟩ = 0.