Title of article :
Progress in validating the potential energy surface of the OH+H2 reaction: product vibrational distributions
Author/Authors :
Rodr??guez، نويسنده , , Aurelio and Garc??a، نويسنده , , Ernesto and Alvari?o، نويسنده , , José M and Laganà، نويسنده , , Antonio، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2001
Pages :
9
From page :
219
To page :
227
Abstract :
A quasi-classical trajectory study of the OH+H2 reaction has been performed on the potential energy surface (PES) proposed by Ochoa and Clary [J. Chem. Phys. 102 (1998) 9631] in order to assess its accuracy. A discussion of the accuracy of calculated rate coefficients and cross-sections has been already given in another Letter. In this Letter, detailed product vibrational distributions are analyzed and their relevance to the understanding of energy disposal mechanisms and to the evaluation of the accuracy of the proposed PESs are discussed. Indications on possible improvements of the PES to be adopted in the next iteration of the validation procedure are also given.
Journal title :
Chemical Physics Letters
Serial Year :
2001
Journal title :
Chemical Physics Letters
Record number :
1777559
Link To Document :
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