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. 2014 Mar 3;136(12):4492–4495. doi: 10.1021/ja501005g

Figure 2.

Figure 2

Calculated transition structures for the DA step of the DAL optimized at the M06-2X/6-31G(d) level with an implicit solvent model [SMD (dichloromethane)]. Gibbs free energies in kcal/mol shown are relative to the reactants. Selected bond distances are shown (Å).