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https://hdl.handle.net/10316/10335| Title: | Unimolecular and Bimolecular Calculations for HN2 | Authors: | Caridade, P. J. S. B. Rodrigues, S. P. J. Sousa, F. Varandas, A. J. C. |
Issue Date: | 17-Mar-2005 | Publisher: | American Chemical Society | Citation: | The Journal of Physical Chemistry A. 109:10 (2005) 2356-2363 | Abstract: | Using a recently reported double many-body expansion potential energy surface, quasi-classical, statistical mechanics, and quantum resonance calculations have been performed for the HN2 system by focusing on the determination of bimolecular (N + NH and H + N2) and unimolecular (decomposition of HN2) rate constants as well as the relevant equilibrium constants. | URI: | https://hdl.handle.net/10316/10335 | ISSN: | 1089-5639 | DOI: | 10.1021/jp045102g | Rights: | openAccess |
| Appears in Collections: | FCTUC Química - Artigos em Revistas Internacionais |
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| File | Description | Size | Format | |
|---|---|---|---|---|
| Unimolecular and Bimolecular Calculations for HN2.pdf | 252.53 kB | Adobe PDF | View/Open |
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