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Factors Controlling the Diels–Alder Reactivity of Hetero‐1,3‐Butadienes
We have quantum chemically explored the Diels–Alder reactivities of a systematic series of hetero‐1,3‐butadienes with ethylene by using density functional theory at the BP86/TZ2P level. Activation strain analyses provided physical insight into the factors controlling the relative cycloaddition react...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6276106/ https://www.ncbi.nlm.nih.gov/pubmed/30524925 http://dx.doi.org/10.1002/open.201800193 |