Title of article
Does ozone have a barrier to dissociation and recombination?
Author/Authors
Hernلndez-Lamoneda، نويسنده , , R. and Salazar، نويسنده , , Michael R. and Pack، نويسنده , , R.T.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2002
Pages
5
From page
478
To page
482
Abstract
The barrier associated with the dissociation and recombination of ozone has been calculated using highly correlated ab initio methods. Our calculations show that, for fixed equilibrium values of the bending angle and one bond distance, there is a very small barrier, 100 cm−1, as opposed to much larger values previously reported. When the saddle point geometry is optimized, the reaction path still contains a barrier but the top of the barrier lies below the dissociation limit.
Journal title
Chemical Physics Letters
Serial Year
2002
Journal title
Chemical Physics Letters
Record number
1780230
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