Table of Contents
Laser Chemistry
Volume 11 (1991), Issue 3-4, Pages 199-203
http://dx.doi.org/10.1155/LC.11.199

Reaction Path Description and Internal-Mode Dynamics of Molecular Rearrangement in HO2

1Zentralinstitute für physikalische Chemie, Rudower Chaussee 5, Berlin D-0-1199, Germany
2Laboratoire de Chimie Théorique (CNRS US 506), Bâtiment 490, Faculté des Sciences, Université de Paris-Sud , Orsay Cêdex 91405, France

Copyright © 1991 Hindawi Publishing Corporation. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

After brief general remarks and definitions for the reaction path concept in view of formulating physically transparent and computationally feasible theoretical models, the HO2 system is studied for both the bimolecular exchange reaction and the intramolecular H transfer (isomerization). The analysis includes potential energy surface topography, reaction profiles and internal-mode dynamics.