Title of article
Cross sections and rate constants for the O(1D) + H2 reaction using a single-valued energy-switching potential energy surface
Author/Authors
Varandas، نويسنده , , A.J.C. and Voronin، نويسنده , , A.I. and Riganelli، نويسنده , , A. and Caridade، نويسنده , , P.J.S.B.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1997
Pages
8
From page
325
To page
332
Abstract
A realistic single-valued energy-switching potential energy surface recently proposed for the water molecule has been used to perform quasiclassical trajectory calculations for the title reaction. The calculated cross sections and rate constants are compared with theoretical and experimental data, particularly with a view to assess the temperature dependence of the rate constant.
Journal title
Chemical Physics Letters
Serial Year
1997
Journal title
Chemical Physics Letters
Record number
1771541
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