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Rotational Mode-Specificity in the Cl + C(2)H(6) → HCl + C(2)H(5) Reaction
[Image: see text] We perform rotational mode-specific quasi-classical trajectory simulations using a high-quality ab initio analytical potential energy surface for the Cl((2)P(3/2)) + C(2)H(6) → HCl + C(2)H(5) reaction. As ethane, being a prolate-type symmetric top, can be characterized by the J and...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9059192/ https://www.ncbi.nlm.nih.gov/pubmed/35427141 http://dx.doi.org/10.1021/acs.jpca.2c01526 |