A theoretical study of the dynamics of the O(1D)+HD reaction at 0.196 eV collision energy: comparison with experimental results
1999; Elsevier BV; Volume: 310; Issue: 3-4 Linguagem: Inglês
10.1016/s0009-2614(99)00779-4
ISSN1873-4448
AutoresF. J. Aoiz, Luis Bañares, Vı́ctor J. Herrero,
Tópico(s)Quantum, superfluid, helium dynamics
ResumoDifferential cross-sections for the O(1D)+HD reaction have been obtained from quasiclassical trajectory calculations performed on recent ab initio 1A′ and 1A′′ adiabatic potential energy surfaces. The calculations were carried out for the conditions of a recent crossed molecular beam experiment in which differential cross-sections were measured with partial state resolution in the internal states of the OH product. The simulation of the experimental data with the results of the present calculations shows qualitative agreement with some noteworthy discrepancies. The comparison between theory and experiment does not provide any evidence for the contribution of the first excited adiabatic potential energy surface to the reaction.
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