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Epoxidation of Alkenes by Peracids: From Textbook Mechanisms to a Quantum Mechanically Derived Curly‐Arrow Depiction

Using the intrinsic bond orbital (IBO) analysis based on accurate quantum mechanical calculations of the reaction path for the epoxidation of propene using peroxyacetic acid, we find that the four commonly used curly arrows for representing this reaction mechanism are insufficient and that seven cur...

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Detalles Bibliográficos
Autores principales: Klein, Johannes E. M. N., Knizia, Gerald, Rzepa, Henry S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6769425/
https://www.ncbi.nlm.nih.gov/pubmed/31592408
http://dx.doi.org/10.1002/open.201900099