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. Author manuscript; available in PMC: 2022 Jul 16.
Published in final edited form as: ACS Catal. 2021 Jun 28;11(14):8456–8466. doi: 10.1021/acscatal.1c01860

Figure 4.

Figure 4.

Relative Gibbs free energy of single-electron reduction for a set of the hypothetical Ni-Pr pyridinium cations 1h-m. DFT computed values vs those calculated via multilinear regression (eq 2).