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. 2014 Feb 18;10(4):1788–1794. doi: 10.1021/ct4010917

Table 2. ROHz = zz/p for the Three Water Models Used in This Worka.

2.

a

zz = ∑iqizi2 and p = qizi, where zi is the azimuthal-symmetry coordinate of charge qi with respect to the molecule center. A geometric interpretation of ROH for the TIP3P water model is shown in the schematic on the right.