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Dual Activation of Aromatic Diels–Alder Reactions
The unusually fast Diels–Alder reactions of [5]cyclophanes were analyzed by DFT at the BLYP‐D3(BJ)/TZ2P level of theory. The computations were guided by an integrated activation‐strain and Kohn–Sham molecular orbital analysis. It is revealed why both [5]metacyclophane and [5]paracyclophane exhibit a...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6771859/ https://www.ncbi.nlm.nih.gov/pubmed/31111976 http://dx.doi.org/10.1002/chem.201901617 |