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Results of a DFT evaluation of (A) the whole biosynthetic pathway and (B) the energy diagram of verrucosane. IM stands for intermediate. TS stands for transition state. Potential energies (kcal mol–1, Gibbs free energies calculated at the mPW1PW91/6-31+G(d,p) level based on M06-2X/6-31+G(d,p) geometries) relative to IM0 are shown in parentheses.
