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. 2021 Mar 25;6(14):9948–9959. doi: 10.1021/acsomega.1c00997

Figure 2.

Figure 2

Violin plot showing an error in reaction-free energy (ΔGr′°) for Set-1 for different DFT exchange-correlation functionals compared to an experimental reference. The mean absolute error (MAE, kcal/mol) for each functional is shown in labels.