The most interesting trend is observed when the p z -orbital of the anion participates in the binding, which causes a split in the left side of the branch (Figure ). A special case are the results for the combination of s/s, and s/ 2 z d orbitals at q=-1; p x /p x and p x /p y at q= -1 and p x /p x , p x /p y , and p z /d xy at q= +1, for which stable solutions are obtained only for one of the branches, the shape of which is close to a linear function, and in some cases (s/ The dependence of E ads (ε a ) according to the NA model, eq. (6, 7), is almost linear and does not depend significantly on coefficient α (Figure ), while in case of E ads (V 2 ) an exponential dependence is observed (Figure ). In the region of moderately high values V 2 > 0.5 eV 2 , the dependence of E ads (V 2 ) is almost linear. Notably, the approximation of specific results of DFT calculations of DOS adsorbents, for example, shows that each bond type or band involved in the adsorption can have its own set of parameters ε a and ε c (band center). Therefore, for sufficiently high adsorption energies and, respectively, high V 2 , the shape of the E ads (V 2 ) or E ads (ε a ) dependencies may become more complicated due to the contribution of a larger number of electrode bands and adsorbent orbitals involved in the adsorption process.