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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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Bibliografski detalji
Izdano u:Chem Sci
Glavni autori: Bragato, Marco, von Rudorff, Guido Falk, von Lilienfeld, O. Anatole
Format: Artigo
Jezik:Inglês
Izdano: The Royal Society of Chemistry 2020
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC8163012/
https://ncbi.nlm.nih.gov/pubmed/34094415
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/d0sc04235h
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