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https://hdl.handle.net/10316/10342
Title: | Dynamics Study of the O2 + HO2 Atmospheric Reaction with Both Reactants Highly Vibrationally Excited | Authors: | Zhang, L. Varandas, A. J. C. |
Issue Date: | 12-Dec-2002 | Publisher: | American Chemical Society | Citation: | The Journal of Physical Chemistry A. 106:49 (2002) 11911-11916 | Abstract: | We report a theoretical study of the title five-atom atmospheric reaction for vibrationally excited states of O2 over the range 18 ≤ v ≤ 27, and initial vibrational energies of HO2 over the range 36 ≤ Ev/kcalmol-1 ≤ 51. All calculations have employed the quasiclassical trajectory method and the realistic double many-body expansion potential energy surface recently reported for HO4(2A). The results indicate that it can be a potential source of ozone in the upper atmosphere. | URI: | https://hdl.handle.net/10316/10342 | ISSN: | 1089-5639 | DOI: | 10.1021/jp021595i | Rights: | openAccess |
Appears in Collections: | FCTUC Química - Artigos em Revistas Internacionais |
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Dynamics Study of the O2 + HO2 Atmospheric Reaction.pdf | 121.08 kB | Adobe PDF | View/Open |
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