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. 2011 Apr 1;134(13):134501. doi: 10.1063/1.3569563

Figure 5.

Figure 5

Electrostatic potential at 2.8 Å from the central water molecule in QM∕4MM as a function of polar angle from the z-axis (a) parallel and (b) perpendicular to the plane of the molecule for the electron density at the MP2∕aug-cc-pVQZ level (×), a moment expansion to the quadrupole (dashed line), octupole (red line), hexadecapole (black line), TIP4P∕2005 (green line), TIP5P (blue line).