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. 2017 Aug 4;2(8):4237–4244. doi: 10.1021/acsomega.7b00658

Figure 4.

Figure 4

DFT-calculated transition energies (B3LYP-level ZPE-corrected BS2 energies) for the AO substrates. For each compound, the TS energies for the aromatic C atoms are listed. */** indicate primary/secondary SOMs.