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
Link To Document :
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