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On-The-Fly Kinetics of the Hydrogen Abstraction by Hydroperoxyl Radical: An Application of the Reaction Class Transition State Theory

A Reaction Class Transition State Theory (RC-TST) is applied to calculate thermal rate constants for hydrogen abstraction by OOH radical from alkanes in the temperature range of 300–2500 K. The rate constants for the reference reaction C(2)H(6) + ∙OOH → ∙C(2)H(5) + H(2)O(2), is obtained with the Can...

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Detalles Bibliográficos
Autores principales: Baradyn, Maciej, Ratkiewicz, Artur
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8841336/
https://www.ncbi.nlm.nih.gov/pubmed/35174142
http://dx.doi.org/10.3389/fchem.2021.806873

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