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S(N)2 versus S(N)2′ Competition
[Image: see text] We have quantum chemically explored the competition between the S(N)2 and S(N)2′ pathways for X(–) + H(2)C=CHCH(2)Y (X, Y = F, Cl, Br, I) using a combined relativistic density functional theory and coupled-cluster theory approach. Bimolecular nucleophilic substitution reactions at...
| 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/PMC9295157/ https://www.ncbi.nlm.nih.gov/pubmed/35748807 http://dx.doi.org/10.1021/acs.joc.2c00527 |