# Exact Quantum Reaction Probabilities for the Collinear O(^{3}P) + H_{2} Reaction on an *Ab Initio* and Diatomics-in-Molecules Potential Surface

## Abstract

The reaction O(^{3}P) + H_{2} → OH + H is of fundamental importance in the combustion of molecular hydrogen and hydrogen-containing fuels. Many experimental studies of the rate constant for this reaction have been made over a large temperature range. A review of the experimental work is given in reference 1. Recently, this reaction has received considerable theoretical attention. Two semi-empirical LEPS type potential energy surfaces have been constructed for this reaction.^{2,3} These have been used to determine transition state theory rate constants^{2} as well as rate constants from quasi-classical trajectory calculations.^{3} In the latter study, the quasi-classical rate constant for reaction of H_{2}(v=1) was also calculated.^{3} Diatomics-in-molecules (DIM) potential surfaces for the O(^{3}P) and O(^{1}D) + H_{2} systems have also been reported^{4} and used in quasiclassical trajectory calculations.^{4} More recently, two *Ab initio* determinations of the O(^{3}P) + H_{2} potential energy surfaces have been reported.^{5,6} A review of all of the O(^{3}P) + H_{2} potential surfaces is given in reference 6. Quasiclassical trajectory calculations of the reaction cross sections and rate constants for H_{2} in the ground and first two excited vibrational states have been reported,^{7} using the potential reported in reference 5.

## Keywords

Potential Energy Surface Reaction Probability Excited Vibrational State Excited State Reaction Thermal Rate Constant## Preview

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## References

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