Dynamics of the O(3P) + H2 reaction at low temperatures: comparison of quasiclassical trajectory with quantum scattering calculations.

Abstract

Quasiclassical trajectory and quantum-mechanical scattering calculations are reported for the O((3)P) + H(2)(X (1)Sigma(g) (+);upsilon = 1-3,j = 0)-->OH(X (2)Pi) + H((2)S) reaction at energies close to the reaction threshold. The dynamics of the reaction have been investigated for zero total angular momentum using the lowest (3)A" potential-energy surface… (More)

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@article{Weck2006DynamicsOT, title={Dynamics of the O(3P) + H2 reaction at low temperatures: comparison of quasiclassical trajectory with quantum scattering calculations.}, author={Philippe F. Weck and N Balakrishnan and J. Brand{\~a}o and Cezar Rosa and Wenli Wang}, journal={The Journal of chemical physics}, year={2006}, volume={124 7}, pages={74308} }