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. Author manuscript; available in PMC: 2013 Jun 1.
Published in final edited form as: J Org Chem. 2012 May 11;77(11):4939–4948. doi: 10.1021/jo300314z

Figure 11.

Figure 11

Stationary points on the energy surface for electrocyclic ring opening. B3LYP/6-31G(d) thermal energies, ΔH, with thermally corrected M06-2X/6-311++G(d,p)//B3LYP/6-31G(d) energies, ΔH, in parentheses, shown in kcal/mol.