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Reactions of Photoionization-Induced CO–H(2)O Cluster: Direct Ab Initio Molecular Dynamics Study

[Image: see text] The hydrocarboxyl radical (HOCO) is an important species in combustion and astrochemistry because it is easily converted to CO(2) after hydrogen reduction. In this study, the formation mechanism of the HOCO radical in a CO–H(2)O system was investigated by direct ab initio molecular...

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Detalles Bibliográficos
Autor principal:	Tachikawa, Hiroto
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8246690/ https://www.ncbi.nlm.nih.gov/pubmed/34235341 http://dx.doi.org/10.1021/acsomega.1c02612

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