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. 2017 Sep 14;23(57):14248–14260. doi: 10.1002/chem.201702019

Figure 5.

Figure 5

Competing TSs for the 9‐anthryl and phenyl derived phosphoric acid catalysed transfer hydrogenation reaction of cyclic imines. ONIOM (B3LYP/6‐31G**:UFF), single‐point energy M06‐2X/6‐31G**. Greyed‐out regions were treated with UFF, and the full‐colour regions were treated B3LYP/6‐31G**.