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. 2014 Oct 30;79(23):11370–11377. doi: 10.1021/jo5015728

Figure 2.

Figure 2

Gibbs free energy profile and transition structures for the 8π–6π ring closure cascade of monosubstituted tetraenes 2 and 3. Structures and free energies (kcal mol–1) determined using the M06-2X/6-31+G(d,p) level of theory.