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. Author manuscript; available in PMC: 2013 Jul 18.
Published in final edited form as: J Am Chem Soc. 2012 Jul 3;134(28):11350–11353. doi: 10.1021/ja303443m

Figure 1.

Figure 1

Calculated energies of intermediates (5) vs. the total Normal Population Analysis (NPA) charge on the C–H activated heterocycles in 5. Computational data are excerpted from Ref 7b.