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https://hdl.handle.net/10316/10448| Title: | Dynamics Study of the HO(v‘=0) + O2(v‘ ‘) Branching Atmospheric Reaction. 1. Formation of Hydroperoxyl Radical | Authors: | Garrido, J. D. Caridade, P. J. S. B. Varandas, A. J. C. |
Issue Date: | 24-Jun-1999 | Publisher: | American Chemical Society | Citation: | The Journal of Physical Chemistry A. 103:25 (1999) 4815-4822 | Abstract: | We report a theoretical study of the title four-atom atmospheric reaction for a range of translational energies 0.1 ≤ Etr/kcal mol-1 ≤ 40 and the range 13 ≤ v‘ ‘ ≤ 27 of vibrational quantum numbers of the oxygen molecule. All calculations have employed the quasiclassical trajectory method, and a realistic potential energy surface obtained by using the double many-body expansion (DMBE) method for ground-state HO3. | URI: | https://hdl.handle.net/10316/10448 | ISSN: | 1089-5639 | DOI: | 10.1021/jp990756o | Rights: | openAccess |
| Appears in Collections: | FCTUC Química - Artigos em Revistas Internacionais |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| Dynamics Study of the HO Branching Atmospheric.pdf | 176.88 kB | Adobe PDF | View/Open |
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