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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...

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Detalles Bibliográficos
Autores principales: Shahamirian, Mozhgan, Wieczorkiewicz, Paweł A., Krygowski, Tadeusz M., Szatylowicz, Halina
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
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