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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...
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| Publicado no: | J Org Chem |
|---|---|
| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical Society
2021
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8154615/ https://ncbi.nlm.nih.gov/pubmed/33769821 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.joc.1c00239 |
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