The O(1D)+H2 reaction at 56 meV collision energy: A comparison between quantum mechanical, quasiclassical trajectory, and crossed beam results

Abstract

Quasiclassical trajectory reactive scattering and quantum mechanical calculations were performed for the O(1D)+H2 (v = 0,j = 0) reaction on the Dobbyn-Knowles ab inito potential energy surfaces (PES). The reaction was investigated using high resolution Rydberg-atom 'tagging' time-of-flight technique. Results indicated that the detailed experimental measurements with rovibrational state resolution at 56 meV collision energy could be explained by resorting to adiabatic calculations on the ground 1 1A′ PES. © 2002 American Institute of Physics