Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/5235
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Varandas, A. J. C. | - |
dc.contributor.author | Zhang, L. | - |
dc.date.accessioned | 2008-09-01T15:06:16Z | - |
dc.date.available | 2008-09-01T15:06:16Z | - |
dc.date.issued | 2000 | en_US |
dc.identifier.citation | Chemical Physics Letters. 331:5-6 (2000) 474-482 | en_US |
dc.identifier.uri | https://hdl.handle.net/10316/5235 | - |
dc.description.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. | en_US |
dc.description.uri | http://www.sciencedirect.com/science/article/B6TFN-41WBCGK-M/1/f846c63bce20f7a4c43e3cdd2338c852 | en_US |
dc.format.mimetype | aplication/PDF | en |
dc.language.iso | eng | eng |
dc.rights | openAccess | eng |
dc.title | Test studies on the potential energy surface and rate constant for the OH+O3 atmospheric reaction | en_US |
dc.type | article | en_US |
dc.identifier.doi | 10.1016/S0009-2614(00)01222-7 | - |
item.grantfulltext | open | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.fulltext | Com Texto completo | - |
item.openairetype | article | - |
item.cerifentitytype | Publications | - |
item.languageiso639-1 | en | - |
crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
crisitem.author.parentresearchunit | Faculty of Sciences and Technology | - |
crisitem.author.orcid | 0000-0003-1501-3317 | - |
Appears in Collections: | FCTUC Química - Artigos em Revistas Internacionais |
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filee55f1f88398e433ca57a51a3061c3145.pdf | 415.16 kB | Adobe PDF | View/Open |
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