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Theoretical Study on the Gas Phase and Gas–Liquid Interface Reaction Mechanism of Criegee Intermediates with Glycolic Acid Sulfate

Criegee intermediates (CIs) are important zwitterionic oxidants in the atmosphere, which affect the budget of OH radicals, amines, alcohols, organic/inorganic acids, etc. In this study, quantum chemical calculation and Born–Oppenheimer molecular dynamic (BOMD) simulation were performed to show the r...

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Detalles Bibliográficos
Autores principales:	Li, Lei, Zhang, Qingzhu, Wei, Yuanyuan, Wang, Qiao, Wang, Wenxing
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9965808/ https://www.ncbi.nlm.nih.gov/pubmed/36834768 http://dx.doi.org/10.3390/ijms24043355

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