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. Author manuscript; available in PMC: 2014 Mar 7.
Published in final edited form as: J Phys Chem Lett. 2013 Mar 6;4(6):975–981. doi: 10.1021/jz400111d

Figure 2.

Figure 2

The Au144(SCH3)60 structural model obtained through the use of first-principles DFT optimization. Three orientations are shown, viewed along the following symmetry axes: (a) 5-fold axis, (b) 3-fold axis, and (c) 2-fold axis. The color scheme is that used in Fig. 1: inner core 54 Au atoms (orange), 60-atom outer shell (brown), 30 gold ad-atoms (yellow), and 60 sulfur atoms (red). The carbon and hydrogen atoms of the thiolate-tail are shown as small gray and blue spheres, respectively.