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Rotational Mode Specificity in the F(–) + CH(3)I(v = 0, JK) S(N)2 and Proton-Transfer Reactions
[Image: see text] Quasiclassical trajectory computations are performed for the F(–) + CH(3)I(v = 0, JK) → I(–) + CH(3)F (S(N)2) and HF + CH(2)I(–) (proton-transfer) reactions considering initial rotational states characterized by J = {0, 2, 4, 6, 8, 12, and 16} and K = {0 and J} in the 1–30 kcal/mol...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7604870/ https://www.ncbi.nlm.nih.gov/pubmed/33054214 http://dx.doi.org/10.1021/acs.jpca.0c08043 |