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. Author manuscript; available in PMC: 2012 Sep 14.
Published in final edited form as: J Am Chem Soc. 2011 Aug 18;133(36):14443–14451. doi: 10.1021/ja205700p

Figure 2.

Figure 2

Transition structures for the (4+3) cycloadditions of 2Ph with 2-methylfuran, calculated at the B3LYP/6-31G(d) level. Bond lengths in Å, energies in kcal/mol. ΔH‡ and ΔG‡ (in parentheses) are given below the TSs.