The vast majority of activity parameters (descriptors) characterize the catalytic activity of heterogeneous catalysts. Researchers have proposed a lot of electronic parameters that quite accurately describe the activity of various materials: centers of transition metal atomic bands, orbital occupancy for transition metal oxides, Fermi level, effective coordination numbers and associated electron density for metals, density of states at the Fermi level for graphene, etc. Such studies normally consider industrial reactions, for example, oxygen reduction, hydrogen oxidation, nitrogen fixation, CO 2 conversion, etc.