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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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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| 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 |