Complete, Theoretical Rovibronic Spectral Characterization of the Carbon Monoxide, Water, and Formaldehyde Cations

New high-level ab initio quartic force field (QFF) methods are explored which provide spectroscopic data for the electronically excited states of the carbon monoxide, water, and formaldehyde cations, sentinel species for expanded, recent cometary spectral analysis. QFFs based on equation-of-motion i...

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Detalles Bibliográficos
Autores principales: Davis, Megan C., Huang, Xinchuan, Fortenberry, Ryan C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9964158/
https://www.ncbi.nlm.nih.gov/pubmed/36838769
http://dx.doi.org/10.3390/molecules28041782

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9964158/
https://www.ncbi.nlm.nih.gov/pubmed/36838769
http://dx.doi.org/10.3390/molecules28041782

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