Bioinorganic Chemistry and Applications / 2010 / Article / Fig 3

Research Article

B3LYP Study on Reduction Mechanisms from O 2 to H 2 O at the Catalytic Sites of Fully Reduced and Mixed-Valence Bovine Cytochrome ๐‘ Oxidases

Figure 3

Optimized geometries of the site in which the Cu atom is coordinated by a H2O molecule as fourth ligand. The Cu atoms are an oxidized Cu(II) (A) and a reduced Cu(I) (B).

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