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. 2018 Sep 6;8(10):9665–9674. doi: 10.1021/acscatal.8b02326

Figure 8.

Figure 8

Comparison of energy profiles (in kcal mol–1) of pathway a (catalase, in red) and pathway b (homolysis, in black), as obtained at the S12g/TZ2P//BP86-D3/TDZP level. (The complete structures indicated in the profile can be also found in Figure 9.)