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An in-house Cerius2 SDK implementation of an interface between Cerius2 and POV-Ray 3.1 written by J. Manson was used in the production of Figures 1, 3, 4, and 6. Cerius2 4.8: Accelrys Inc., 9685 Scranton Road, San Diego, CA 92121-3752, USA; http://www.accelrys.com/; POV-Ray: POV-Team co/ Hallam Oaks P/L, P.O. Box 407, Williamstown, Victoria, 3016, Australia; http://www.povray. org.
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Further details on calculated structures can be found in the Supporting Information.
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