Chemical insights into the atmospheric oxidation of thiophene by hydroperoxyl radical

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 stationary point...

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Detalles Bibliográficos
Autores principales: Sharifi, Maryam Seyed, Douroudgari, Hamed, Vahedpour, Morteza
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8219665/
https://www.ncbi.nlm.nih.gov/pubmed/34158534
http://dx.doi.org/10.1038/s41598-021-92221-z

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8219665/
https://www.ncbi.nlm.nih.gov/pubmed/34158534
http://dx.doi.org/10.1038/s41598-021-92221-z

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