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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. 1.

FIG. 1

Potential of mean force for single (a) iodide and (b) chloride ions across the TIP4P-FQ LV-interface, relative to the value at z = 10.0 Å, which we consider sufficiently far away from the interface so as to represent bulk-like water region. Solid lines represent ions in TIP4P-FQ, a vertical offset of 2 kcal/mol is used to distinguish different temperature, each with a dashed horizontal line denoting zero. The inset shows the PMF minimum as the function of temperature for I−. The dashed line indicates the linear fitting result, with slope = 0.01 and intercept = −3.53.