Chemical insights into the atmospheric oxidation of thiophene by hydroperoxyl radical

Abstract The reaction mechanisms and kinetics of thiophene oxidation reactions initiated by hydroperoxyl radical, and decomposition of the related intermediates and complexes, have been considered herein by using high-level DFT and ab initio calculations. The main energetic parameters of all station...

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Autores principales: Maryam Seyed Sharifi, Hamed Douroudgari, Morteza Vahedpour
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/d0c7c85d56554b859a9ef59c8224c132
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