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Vibrational Mode-Specific Dynamics of the OH + C(2)H(6) Reaction
[Image: see text] We investigate the effects of the initial vibrational excitations on the dynamics of the OH + C(2)H(6) → H(2)O + C(2)H(5) reaction using the quasi-classical trajectory method and a full-dimensional analytical ab initio potential energy surface. Excitation of the initial CH, CC, and...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10493966/ https://www.ncbi.nlm.nih.gov/pubmed/37620310 http://dx.doi.org/10.1021/acs.jpca.3c04328 |