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Data enhanced Hammett-equation: reaction barriers in chemical space

It is intriguing how the Hammett equation enables control of chemical reactivity throughout chemical space by separating the effect of substituents from chemical process variables, such as reaction mechanism, solvent, or temperature. We generalize Hammett's original approach to predict potentia...

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Detalles Bibliográficos
Autores principales:	Bragato, Marco, von Rudorff, Guido Falk, von Lilienfeld, O. Anatole
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2020
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8163012/ https://www.ncbi.nlm.nih.gov/pubmed/34094415 http://dx.doi.org/10.1039/d0sc04235h

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