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Computational Exploration of Ambiphilic Reactivity of Azides and Sustmann’s Paradigmatic Parabola
[Image: see text] We examine the theoretical underpinnings of the seminal discoveries by Reiner Sustmann about the ambiphilic nature of Huisgen’s phenyl azide cycloadditions. Density functional calculations with ωB97X-D and B2PLYP-D3 reproduce the experimental data and provide insights into ambiphil...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8154615/ https://www.ncbi.nlm.nih.gov/pubmed/33769821 http://dx.doi.org/10.1021/acs.joc.1c00239 |