Effects of water, ammonia and formic acid on HO(2) + Cl reactions under atmospheric conditions: competition between a stepwise route and one elementary step

Quantum chemical calculations at M06-2X and CCSD(T) levels of theory have been performed to investigate the effects of H(2)O, NH(3), and HCOOH on the HO(2) + Cl → HCl + O(2) reaction. The results show that catalyzed reactions with three catalysts could proceed through two different mechanisms, namel...

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Detalles Bibliográficos
Autores principales: Zhang, Tianlei, Zhang, Yongqi, Wen, Mingjie, Tang, Zhuo, Long, Bo, Yu, Xiaohu, Zhao, Caibin, Wang, Wenliang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2019
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9066192/
https://www.ncbi.nlm.nih.gov/pubmed/35521297
http://dx.doi.org/10.1039/c9ra03541a

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9066192/
https://www.ncbi.nlm.nih.gov/pubmed/35521297
http://dx.doi.org/10.1039/c9ra03541a

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