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. Author manuscript; available in PMC: 2020 Oct 4.
Published in final edited form as: ACS Catal. 2019 Sep 5;9(10):9683–9697. doi: 10.1021/acscatal.9b02272

Table 3.

Rho and R2 values for single- and dual-parameters correlations of log(kX/kH) values for Mb(H64V,V68A) (1) and Mb(H64V,V68A,H93NMH)[Fe(DADP)] (3) with sigma and sigma-dot parameters. N.a. = not applicable due to non-linear correlation.

Catalyst Parameters ρX ρmb ρJJ mbJJ| R2
1 σp −1.20 - - - 0.84
1 σ+ −0.77 - - - 0.77
1 σJJ - - n.a. - 0.05
1 σmbJJ - −0.79 −0.52 1.50 0.84
3 σp n.a. - - - 0.10
3 σ+ n.a - - - 0.07
3 σJJ - - 2.70 - 0.86
3 σmbJJ - 0.18 2.60 0.06 0.93