We report a single-valued potential energy surface for HO 4 2 A from the double many-body expansion method. All n-body n 2±4 energy terms are taken from published studies on the relevant fragments, with a ®ve-body energy term of Gaussian form added to mimic the experimental activation energy for the OH v 0 O 3 reaction. A detailed dynamics study of this reaction is also reported using classical trajectories. Good agreement with existing experimental data is obtained. Ó

The effect of reactants vibrational and rotational excitation on products (HO 2 + O and O 3 + H) formation is investigated for the title reaction by using the quasiclassical trajectory method and the realistic double manybody expansion (DMBE) potential energy surface for ground-state HO 3. It is shown that it can be a potential source of ozone in the upper atmosphere.

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We discuss the title atmospheric reaction for vibrational excited states of OH over the range 0 6 v 6 9. All calculations have employed the quasi-classical trajectory (QCT) method and a realistic double many-body expansion (DMBE) potential energy surface for HO 4 2 A. For v 9, the calculated thermal rate coecient is found to agree with measurements of OH quenching reported by others, which has been attributed to both chemical reaction and nonreactive collisions. The temperature dependence of the rate constant is described by a simple model for all studied vibrational states of OH. Ó

We report a theoretical study of the title five-atom atmospheric reaction for vibrationally excited states of O 2 over the range 18 e V e 27, and initial vibrational energies of HO 2 over the range 36 e E V /kcalmol -1 e 51. All calculations have employed the quasiclassical trajectory method and the realistic double many-body expansion potential energy surface recently reported for HO 4 ( 2 A). The results indicate that it can be a potential source of ozone in the upper atmosphere.