Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 117, Issue 4, Pages 1536-1543Publisher
AMER INST PHYSICS
DOI: 10.1063/1.1488577
Keywords
-
Ask authors/readers for more resources
A modified ab initio potential energy surface (PES) is used for calculations of ozone recombination and isotopic exchange rate constants. The calculated low-pressure isotopic effects on the ozone formation reaction are consistent with the experimental results and with the theoretical results obtained earlier [J. Chem. Phys. 116, 137 (2002)]. They are thereby relatively insensitive to the properties of these PES. The topics discussed include the dependence of the calculated low-pressure recombination rate constant on the hindered-rotor PES, the role of the asymmetry of the potential for a general X+YZ reaction (Ynot equalZ), and the partitioning to form each of the two recombination products: XYZ and XZY. (C) 2002 American Institute of Physics.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available