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Anharmonic Assignment of the Water Octamer Spectrum in the OH Stretch Region
[Image: see text] We interface the quasi-classical trajectory approach with an ab initio potential energy surface for water to assign the vibrational spectroscopical features of the OH stretch region of the water octamer cluster, which is considered to be a precursor of ice. An attempt by Li et al....
| 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/PMC10405218/ https://www.ncbi.nlm.nih.gov/pubmed/37477983 http://dx.doi.org/10.1021/acs.jpca.3c02902 |