Title of article
The F + HD reaction: cross sections and rate constants on an ab initio potential energy surface
Author/Authors
Aoiz، نويسنده , , F.J. and Baٌares، نويسنده , , L. and Herrero، نويسنده , , V.J. and Rلbanos، نويسنده , , V.Sلez and Stark، نويسنده , , K. and Tanarro، نويسنده , , I. and Werner، نويسنده , , H.-J.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1996
Pages
8
From page
175
To page
182
Abstract
Reaction cross sections and rate constants for the F + HD reaction have been calculated on the recently released Stark-Werner (SW) ab initio potential energy surface (PES) using the quasiclassical trajectory (QCT) method. The results are compared to other theoretical calculations on different PESs and to experimental isotopic branching ratios. The general agreement is good. Dynamical features related to the asymmetric nature of the HD molecule are also discussed.
Journal title
Chemical Physics Letters
Serial Year
1996
Journal title
Chemical Physics Letters
Record number
1778784
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