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. Author manuscript; available in PMC: 2013 Jan 1.
Published in final edited form as: Wiley Interdiscip Rev Comput Mol Sci. 2011 Jun 28;2(1):167–185. doi: 10.1002/wcms.74

Figure 4.

Figure 4

Orientation of test water molecules around the polarizable atom of interest exemplified through ethanethiol. Carbon is in cyan, sulfur in yellow and LP in blue. “120” is probing for interactions along the S-LP axis. “180” is oriented towards the C–S bond. “BIS” water points at the bisection of the C-S-H valence angle. “PR” is pointed directly at the sulfur proton and along the S–H bond.