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. 2021 Jul 27;9:704160. doi: 10.3389/fchem.2021.704160

FIGURE 8.

FIGURE 8

Velocity probability distributions for water (top row, for blank and simulations in the presence of NaCl and CaCl2) and the selected ions. Bin-width has been selected applying the Freedman–Diaconis rule (Freedman and Diaconis, 1981). In the right-bottom square box, a representation of the coordination of Ca2+ with waters from the first and second coordination spheres is shown.