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Classical and Reverse Substituent Effects in Substituted Anthrol Derivatives
The substituent effect in 1‐, 2‐, and 9‐anthrols is studied by means of B3LYP/6‐311++G(d,p) computation, taking into account substituents (X): NO(2), CN, OH and NH(2) located in all positions except the adjacent ones. The substituent effect is characterized by approaches based on quantum chemistry:...
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| Publicado no: | ChemistryOpen |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
John Wiley and Sons Inc.
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6346296/ https://ncbi.nlm.nih.gov/pubmed/30697512 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/open.201800234 |
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