Accurate quantum probabilities and threshold behavior of the H+O2 combustion reaction
- 1 December 1993
- journal article
- letter
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 99 (11), 9310-9313
- https://doi.org/10.1063/1.465548
Abstract
We report accurate 3D quantum reaction probabilities for the H+O2 combustion reaction and find that they are resonance dominated and rise linearly above threshold. The reaction probability is not enhanced by vibrational or rotational excitation of the reactants but does increase above the threshold for vibrationally excited products.Keywords
This publication has 22 references indexed in Scilit:
- Excitation function for H+O2 reaction: A study of zero-point energy effects and rotational distributions in trajectory calculationsThe Journal of Chemical Physics, 1993
- The nature and role of quantized transition states in the accurate quantum dynamics of the reaction O+H2→OH+HThe Journal of Chemical Physics, 1993
- Comparison of variational Rice–Ramsperger–Kassel–Marcus theory with quantum scattering theory for the He+H+2 →HeH++H reactionThe Journal of Chemical Physics, 1992
- Quantized transition-state structure in the cumulative reaction probabilities for chlorine atom + hydrogen chloride, iodine atom + hydrogen iodide, and iodine atom + deuterium iodide reactionsThe Journal of Physical Chemistry, 1992
- Global control of suprathreshold reactivity by quantized transition statesJournal of the American Chemical Society, 1991
- Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates. IV. Discrete variable representation (DVR) basis functions and the analysis of accurate results for F+H2The Journal of Chemical Physics, 1990
- Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates. III. Small θ behavior and corrigendaThe Journal of Chemical Physics, 1989
- Reaction dynamics of H+O2 at 1.6 eV collision energyChemical Physics Letters, 1989
- Comparison of reduced dimensionality and accurate cumulative reaction probabilities for O(3P)+H2(ν=0, 1)Chemical Physics Letters, 1987
- A determination of fundamental Zeeman parameters for the OH radicalMolecular Physics, 1978