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. Author manuscript; available in PMC: 2016 Jul 15.
Published in final edited form as: J Am Chem Soc. 2015 Jul 6;137(27):8838–8850. doi: 10.1021/jacs.5b04844

Figure 12.

Figure 12

Lowest energy C-C bond forming TSs for reactions (1) and (2). M06/SDD-6-311G(d,p)-IEFPCM(acetone)//B3LYP/SDD-6-31G(d). Non-critical hydrogen atoms omitted for clarity.