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. Author manuscript; available in PMC: 2019 Feb 13.
Published in final edited form as: J Chem Theory Comput. 2018 Jan 31;14(2):1083–1098. doi: 10.1021/acs.jctc.7b01086

Figure 5.

Figure 5

Water radial distribution functions around a. chlorobenzene (CHLB) and b. bromobenzene (BROB) when the C-Cl/Br…O angles are within 90° ± 10° or 180° ± 10°, where O is the oxygen of the water. Results are obtained from 5 ns aqueous MD simulations.