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. Author manuscript; available in PMC: 2012 Jun 29.
Published in final edited form as: J Am Chem Soc. 2011 Jun 7;133(25):9762–9774. doi: 10.1021/ja109178q

Figure 3.

Figure 3

Calculated spin density distribution for 1. Positive spin density (blue) is largely localized on Mo with a small negative spin density (green) on the dithiolene sulfurs. View is oriented down the molecular z-axis. Spin density calculated using Gaussian 03.