This document discusses the quantum dynamics of the HO + CO → H + CO2 combustion reaction, emphasizing the importance of accurate potential energy surfaces for understanding reaction dynamics. The study presents results indicating an increasing reaction probability influenced by OH vibrational excitation and highlights the challenges of tunneling at lower collision energies. Full-dimensional quantum scattering calculations show improved agreement with experimental data and affirm the significance of tunneling in the reaction.

1. Quantum Dynamics of the HO + CO → H + CO2
Reaction on an Accurate Potential Energy Surface
Jianyi Ma, Jun Li, and Hua Guo*
Department of Chemistry and Chemical Biology, University of New Mexico,
Albuquerque, New Mexico 87131, United States
*E-mail: hguo@unm.edu.
J. Phys. Chem. Lett. 2012, Vol. 3, 2482 -2486 1