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. 2018 Apr 2;8(5):4009–4016. doi: 10.1021/acscatal.8b00153

Figure 1.

Figure 1

Free energy profile calculated for the hydrogenation of benzaldehyde catalyzed by the hydride complex Awith ligand N–H bond participation. Free energies (kcal/mol) are referred to the initial reactants (A), and relevant distances (Å) are presented.