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A systematic study on the kinetics of H-shift reactions in pristine acyl peroxy radicals

A series of acyl peroxy radical H-shifts were systematically studied using computational approaches. Acyl peroxy radicals were categorized into small- (ethanal–pentanal), medium- (hexanal and heptanal) and large-sized (octanal and nonanal) molecules. The H-shifts spanning from 1,4 to 1,9 were inspec...

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Detalles Bibliográficos
Autores principales: Seal, Prasenjit, Barua, Shawon, Iyer, Siddharth, Kumar, Avinash, Rissanen, Matti
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10599409/
https://www.ncbi.nlm.nih.gov/pubmed/37823187
http://dx.doi.org/10.1039/d3cp01833d