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. 2020 Jan 21;11:417. doi: 10.1038/s41467-019-14016-1

Fig. 8. Calculated reaction energy profile.

Fig. 8

a Chain-walking and original-site product formation process. Energy values are given in kcal/mol and represent the relative free energies calculated by the M06 method in N, N-dimethylacetamide. The values of bond length are given in ångstrom. b migratory product formation process. Energy values are given in kcal/mol and represent the relative free energies calculated by the M06 method in N, N-dimethylacetamide. The values of bond length are given in ångstrom.