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Experimental Quantum Chemistry: A Hammett‐inspired Fingerprinting of Substituent Effects
The quantum mechanically calculable Q descriptor is shown to be a potent quantifier of chemical reactivity in complex molecules – it shows a strong correlation to experimentally derived field effects in non‐aromatic substrates and Hammett σ(m) and σ(p) parameters. Models for predicting substituent e...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8049055/ https://www.ncbi.nlm.nih.gov/pubmed/33502056 http://dx.doi.org/10.1002/cphc.202001053 |