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Understanding the different reactivity of (Z)- and (E)-β-nitrostyrenes in [3+2] cycloaddition reactions. An MEDT study
The experimental reactivity of isomeric (Z)- and (E)-β-nitrostyrenes participating in [3+2] cycloaddition (32CA) reactions has been analysed on the basis of molecular electron density theory (MEDT) at the HF/6-311G(d,p), B3LYP/6-311G(d,p) and ωB97X-D/6-311G(d,p) computational levels. It was found th...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8695397/ https://www.ncbi.nlm.nih.gov/pubmed/35423465 http://dx.doi.org/10.1039/d1ra00891a |