Theoretical Spectroscopic Study of Two Ketones of Atmospheric Interest: Methyl Glyoxal (CH(3)COCHO) and Methyl Vinyl Ketone (CH(3)COCH=CH(2))

[Image: see text] Two ketones of atmospheric interest, methyl glyoxal and methyl vinyl ketone, are studied using explicitly correlated coupled cluster theory and core–valence correlation-consistent basis sets. The work focuses on the far-infrared region. At the employed level of theory, the rotation...

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Detalles Bibliográficos
Autores principales: Toumi, Insaf, Dalbouha, Samira, Al-Mogren, Muneerah Mogren, Yazidi, Ounaies, Jaïdane, Nejm-Eddine, Carvajal, Miguel, Senent, María Luisa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9574920/
https://www.ncbi.nlm.nih.gov/pubmed/36178377
http://dx.doi.org/10.1021/acs.jpca.2c05653

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9574920/
https://www.ncbi.nlm.nih.gov/pubmed/36178377
http://dx.doi.org/10.1021/acs.jpca.2c05653

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