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cPCET versus HAT: A Direct Theoretical Method for Distinguishing X–H Bond‐Activation Mechanisms

Proton‐coupled electron transfer (PCET) events play a key role in countless chemical transformations, but they come in many physical variants which are hard to distinguish experimentally. While present theoretical approaches to treat these events are mostly based on physical rate coefficient models...

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Detalles Bibliográficos
Autores principales: Klein, Johannes E. M. N., Knizia, Gerald
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6175160/
https://www.ncbi.nlm.nih.gov/pubmed/30019800
http://dx.doi.org/10.1002/anie.201805511