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Purpose. Interpretation of the results of experimental studies of reduction of molecular oxygen on the surface of a heterogeneous catalyst NiCo2O4 spinel-type on the basis of quantum chemical calculations. Methodology. Ab initio quantum chemical calculations of the electronic structure of molecular cluster NiCo2O11H12 and adsorption complexes were made using the formalism of self-consistent field MO LCAO Hartree-Fock-Rutan in broadening the basis of Gaussian functions. Findings. Shown, that the adsorption energy of Н2О2 affects the mechanism of oxygen reduction: for small values of the adsorption energy of oxygen is reduced to a 2-electron mechanism to Н2О2, and then formed Н2О2 molecule desorbed. For large values of the adsorption energy of Н2О2, oxygen reduction takes place on a 4-electron mechanism to form water. Originality. An explanation catalytic reaction of oxygen reduction in the average of 3.7 electron mechanism was suggested, which is confirmed by experimental results. Practical value. The catalytic reaction of oxygen reduction in the average of 3.7 electron mechanism is experimentally substantiated. [ABSTRACT FROM AUTHOR]