Theoretical study of the water oxidation mechanism with non-heme Fe(Pytacn) iron complexes. Evidence that the FeIV(O)(Pytacn) species cannot react with the water molecule to form the O-O bond

1. Acuña-Parés, F.
2. Costas, M.
3. Luis, J.M.
4. Lloret-Fillol, J.