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Fast and accurate prediction of the regioselectivity of electrophilic aromatic substitution reactions
While computational prediction of chemical reactivity is possible it usually requires expert knowledge and there are relatively few computational tools that can be used by a bench chemist to help guide synthesis. The RegioSQM method for predicting the regioselectivity of electrophilic aromatic subst...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Royal Society of Chemistry
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5869546/ https://www.ncbi.nlm.nih.gov/pubmed/29629133 http://dx.doi.org/10.1039/c7sc04156j |