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Exploring the anharmonic vibrational structure of carbon dioxide trimers
Our previously developed mbCO2 potential [O. Sode and J. N. Cherry, J. Comput. Chem. 38, 2763 (2017)] is used to describe the vibrational structure of the intermolecular motions of the CO(2) trimers: barrel-shaped and cyclic trimers. Anharmonic corrections are accounted for using the vibrational sel...
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| Publicado no: | J Chem Phys |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
AIP Publishing LLC
2021
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8034982/ https://ncbi.nlm.nih.gov/pubmed/33858169 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/5.0039793 |
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