Please use this identifier to cite or link to this item: http://hdl.handle.net/10316/5235
Title: Test studies on the potential energy surface and rate constant for the OH+O3 atmospheric reaction
Authors: Varandas, A. J. C. 
Zhang, L. 
Issue Date: 2000
Citation: Chemical Physics Letters. 331:5-6 (2000) 474-482
Abstract: We report a single-valued potential energy surface for HO4(2A) from the double many-body expansion method. All n-body (n=2-4) energy terms are taken from published studies on the relevant fragments, with a five-body energy term of Gaussian form added to mimic the experimental activation energy for the OH(v=0)+O3 reaction. A detailed dynamics study of this reaction is also reported using classical trajectories. Good agreement with existing experimental data is obtained.
URI: http://hdl.handle.net/10316/5235
DOI: 10.1016/S0009-2614(00)01222-7
Rights: openAccess
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais

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