Ab initio kinetics predictions for the role of pre-reaction complexes in hydrogen abstraction from 2-butanone by OH radicals

The existence of pre- and post-reaction complexes has been proposed to influence hydrogen abstraction reaction kinetics, but the significance still remains controversial. A theoretical study is presented to discuss the effects of complexes on hydrogen abstraction from 2-butanone by OH radicals based...

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Detalles Bibliográficos
Autores principales: Gao, Yi, Zhao, Yang, Guan, Qingbao, Wang, Fuke
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9088179/
https://www.ncbi.nlm.nih.gov/pubmed/35547632
http://dx.doi.org/10.1039/d0ra05332e

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9088179/
https://www.ncbi.nlm.nih.gov/pubmed/35547632
http://dx.doi.org/10.1039/d0ra05332e

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