Quantum mechanical calculation of the rate constant for the reaction H+O2→OH+O
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.475776
Reference48 articles.
1. Recalibration of a single-valued double many-body expansion potential energy surface for ground-state hydroperoxy and dynamics calculations for the oxygen atom + hydroxyl .fwdarw. oxygen + hydrogen atom reaction
2. Quasiclassical trajectory calculations of the thermal rate coefficients for the reactions H(D)+O2→OH(D)+O and O+OH(D)→O2+H(D) as a function of temperature
3. Excitation function for H+O2 reaction: A study of zero‐point energy effects and rotational distributions in trajectory calculations
4. Accurate quantum probabilities and threshold behavior of the H+O2 combustion reaction
5. Quantum mechanical calculation of the rate constant for the reaction H+O2→OH+O
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3. Molecular Dynamics of Combustion Reactions in Supercritical Carbon Dioxide. 6. Computational Kinetics of Reactions between Hydrogen Atom and Oxygen Molecule H + O2 ⇌ HO + O and H + O2 ⇌ HO2;The Journal of Physical Chemistry A;2019-12-10
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