Catalytic effect of (H(2)O)(n) (n = 1–3) clusters on the HO(2) + SO(2) → HOSO + (3)O(2) reaction under tropospheric conditions

The HO(2) + SO(2) → HOSO + (3)O(2) reaction, both without a catalyst and with (H(2)O)(n) (n = 1–3) as a catalyst, has been investigated using CCSD(T)/CBS//M06-2X/aug-cc-pVTZ methods, and canonical variational transition state theory with small curvature tunneling (CVT/SCT). The calculated results sh...

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Detalles Bibliográficos
Autores principales: Wang, Rui, Yao, Qiuyue, Wen, Mingjie, Tian, Shaobo, Wang, Yan, Wang, Zhiyin, Yu, Xiaohu, Shao, Xianzhao, Chen, Long
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/PMC9064368/
https://www.ncbi.nlm.nih.gov/pubmed/35521394
http://dx.doi.org/10.1039/c9ra00169g

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9064368/
https://www.ncbi.nlm.nih.gov/pubmed/35521394
http://dx.doi.org/10.1039/c9ra00169g

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