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Criegee intermediate-hydrogen sulfide chemistry at the air/water interface

We carry out Born–Oppenheimer molecular dynamic simulations to show that the reaction between the smallest Criegee intermediate, CH(2)OO, and hydrogen sulfide (H(2)S) at the air/water interface can be observed within few picoseconds. The reaction follows both concerted and stepwise mechanisms with f...

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Detalles Bibliográficos
Autores principales:	Kumar, Manoj, Zhong, Jie, Francisco, Joseph S., Zeng, Xiao C.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Royal Society of Chemistry 2017
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5609144/ https://www.ncbi.nlm.nih.gov/pubmed/28970917 http://dx.doi.org/10.1039/c7sc01797a

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