**Anthony J. H. M. Meijer and Evelyn M. Goldfield**

**February 20, 1998**

Dept. of Chemistry, Wayne State University, Detroit MI, 48202

The H + O_{2}
OH + O reaction has been studied with a
time-dependent wave packet method for total angular momentum *J*=0, 1,
2, and 5, using the Coriolis coupled method [E. M. Goldfield and
S. K. Gray, Comp. Phys. Commun. **98**, 1 (1996)] on parallel
computers. We find that at higher energies the total reaction
probability decreases by a factor of 2 in going from a *J*=0
calculation to a *J*=1 calculation. The effect for higher *J* with
respect to *J*=1 is less dramatic.
We investigated the decrease in reaction probability for *J*>0 by
examining the different initial conditions with respect to ,
the
projection of
onto the body-fixed *z*-axis for the *J*>0 calculations.
We conclude that the reaction probabilty is a strong function of .
If
for *J*>0, collision geometries are accessible that lead to an
enhanced reaction probability.

- Introduction
- Theory
- Computational aspects
- Results and Discussion
- Conclusions
- Appendix
- Bibliography
- About this document ...