01-04U

Calculations of the potential energies of the hydrogen, nitrogen and $OH^-$ groups on the transition-metal surfaces are performed by the quantum-chemical method ZINDO/1. Dependences of adiabatic potentials on the distance to surface and adsorbate location are obtained. Adsorption and dissociation processes of such molecules are studied as a function of the metal surface structure. The charges of the adsorbed and own surface atoms are calculated. Adsorption energies of the hydrogen, nitrogen and $OH^-$ groups on the transition-metal surface are obtained.