Title of article
A theoretical study of the dynamics of the O(1D)+HD reaction at 0.196 eV collision energy: comparison with experimental results
Author/Authors
Aoiz، نويسنده , , F.J. and Baٌares، نويسنده , , L. and Herrero، نويسنده , , V.J.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1999
Pages
10
From page
277
To page
286
Abstract
Differential 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.
Journal title
Chemical Physics Letters
Serial Year
1999
Journal title
Chemical Physics Letters
Record number
1779197
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