AB Initio Study of the Structures of the Intermediates and Transition States for the Reactions O+HO₂→OH+O₂ N+HO₂→OH+NO

The reactions of the O+HO₂→OH+O₂ and N+HO₂→HO+NO have been studied by ab initio SCF method. Geometries were fully optimized at SCF level and energies were computed at STO-3G basis set for reactants, intermediates and transition states. The twe activated complexes have been found for every reactions. The reaction paths have been analyzed.