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. Author manuscript; available in PMC: 2017 Aug 20.
Published in final edited form as: Colloids Surf A Physicochem Eng Asp. 2016 Aug 20;503:70–78. doi: 10.1016/j.colsurfa.2016.05.038

Figure 4.

Figure 4

hSMD results : (a) Histogram of the coordinates of the three Au18 pulling atoms during the bound-state equilibration employed to compute Z0. (b) The distances among the three Au18 pulling atoms and the angle formed by them vs. time during the unbound-state equilibration employed to compute Z∞. (c) The PMFs of Au18, Au102 and Au144 as functions of distance between the cores’ centers of mass. The minima are connected by a dashed pink line. The snapshot shows the bound state of Au18 and all ions within 20 Å of the NPs colored by name: sodium, blue; chloride, magenta. (d) The energetic contributions to the PMF from the van der Waals interactions.