B3LYP Study on Reduction Mechanisms from O₂ to H₂O at the Catalytic Sites of Fully Reduced and Mixed-Valence Bovine Cytochrome 𝑐 Oxidases

Figure 2

Geometries optimized on the pathways of the O₂ reduction at the catalytic sites in MV and FR CcOs, and the reaction paths of MV and FR CcOs examined in this study.