Quantum Chemical Study on the Reaction Mechanism of O+NO_2 O_2+NO

Ab initio calculations of the potential energy surface fro the O+NO2 O2+NO reaction have been performed using the MP2 methods. The geometry optimization of the reactants, products, intermediates and transition states were made the MP2/6-311G*level. The zero-point energies are also corrected. The results show that the O atom trends intensively to react with the NO2.