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A Quantum Theory Atoms in Molecules Study about the Inductive Effect of Substituents in Methane Derivatives
[Image: see text] The substituent effect on the covalent character of C–H bonds in methane derivatives is evaluated by means of local descriptors based on the topology of the electron density. Halogens, −OH, −SH, =O, =S, −NO(2), −NH(2), and −OCH(3) increase the covalent character of the remaining C–...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7178782/ https://www.ncbi.nlm.nih.gov/pubmed/32337469 http://dx.doi.org/10.1021/acsomega.0c01081 |