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Substituent Effects from the Point of View of Energetics and Molecular Geometry in Acene, Polyene, and Polyyne Derivatives
[Image: see text] The substituent effect (SE) is one of the most important topics in organic chemistry and related fields, and Hammett constants (σ) are commonly used to describe it. The results of the computational studies carried out for Y–R–X systems (reaction sites Y = NO(2), O(–); substituents...
Autores principales: | Shahamirian, Mozhgan, Wieczorkiewicz, Paweł A., Krygowski, Tadeusz M., Szatylowicz, Halina |
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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/PMC10336965/ https://www.ncbi.nlm.nih.gov/pubmed/37267218 http://dx.doi.org/10.1021/acs.joc.2c02936 |
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