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Insights into the Molecular Structure and Spectroscopic Properties of HONCO: An Accurate Ab Initio Study
[Image: see text] In an effort to provide the first accurate structural and spectroscopic characterization of the quasi-linear chain HONCO in its electronic ground state, state-of-the-art computational approaches mainly based on coupled-cluster (CC) theory have been employed. Equilibrium geometries...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10658623/ https://www.ncbi.nlm.nih.gov/pubmed/37922399 http://dx.doi.org/10.1021/acs.jpca.3c05741 |