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The Role of Zero-Point Vibration and Reactant Attraction in Exothermic Bimolecular Reactions with Submerged Potential Barriers: Theoretical Studies of the R + HBr → RH + Br (R = CH(3), HO) Systems
[Image: see text] The dynamics of the reactions CH(3) + HBr → CH(4) + Br and HO + HBr → H(2)O + Br have been studied using the quasiclassical trajectory method to explore the interplay of the vibrational excitation of the breaking bond and the potential energy surface characterized by a prereaction...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8488937/ https://www.ncbi.nlm.nih.gov/pubmed/34543008 http://dx.doi.org/10.1021/acs.jpca.1c05839 |