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The efficiency of the OPBAN‐Cu (OPBAN= tetraanionic derivative of 1,2‐phenylene bis(oxamic acid)) water oxidation catalyst family has been studied by DFT calculations. We have explored four different tetraamidate copper complexes [(L1–4)Cu]2– (where L1 is N1,N1′‐(1,2‐phenylene)bis(N2‐methyloxalamidate) and L2–4 are variations of the same ligand with electron donating groups in the ring backbone),...
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