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. Author manuscript; available in PMC: 2014 Apr 19.
Published in final edited form as: J Org Chem. 2013 Mar 22;78(8):4037–4048. doi: 10.1021/jo400350v

Figure 4.

Figure 4

Optimized TSs for the reactions of DMDO with (a) cis-1,4-dimethylcyclohexanes at the equatorial (3-eq-TS) and axial C-H bonds (3-ax-TS); (b) cis-1,2-dimethylcyclohexanes at the equatorial (4-eq-TS) and axial (4-ax-TS) C-H bonds. Energies in kcal/mol with respect to the corresponding reactants. Individual components of distortion energies (alkane distortion, dioxirane distortion) are in parentheses.