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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...
| Autores principales: | , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2019
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| Materias: | |
| 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 |