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. 2018 Jun 13;4(6):768–775. doi: 10.1021/acscentsci.8b00264

Figure 1.

Figure 1

Competitive reaction energy profiles of C2–H and C7–H cleavage steps. Solid lines indicate kinetically favorable pathways. Dashed lines are disfavored ones. Free energy surfaces were constructed at the M06/SDD+6-311+G**/SMD(dichloroethane)//M06/Lanl2dz+6-31G** level of theory.