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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...

Täydet tiedot

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Bibliografiset tiedot
Julkaisussa:Chem Sci
Päätekijät: Bragato, Marco, von Rudorff, Guido Falk, von Lilienfeld, O. Anatole
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: The Royal Society of Chemistry 2020
Aiheet:
Linkit: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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