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. Author manuscript; available in PMC: 2014 Oct 28.
Published in final edited form as: J Phys Chem B. 2013 May 17;117(21):6512–6523. doi: 10.1021/jp401243m

FIG. 2.

FIG. 2

Decomposition of (a)(c) enthalpic and (b)(d) entropic contributions to the potential of mean force of single iodide and chloride ion crossing the TIP4P-FQ LV-interface, relative to the value at z = 10.0 Å. A vertical offset of 5 kcal/mol is used in panel (a) and (c), while in panel (b) and (d) the vertical offset is −5 kcal/mol, for clarity.