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Temperature and Nuclear Quantum Effects on the Stretching Modes of the Water Hexamer
[Image: see text] The water hexamer has many low-lying isomers, e.g., ring, book, cage, and prism, shifting from two- to three-dimensional structures. We show that this dimensionality change is accompanied by a drop in the quantum nature of the cluster, as manifested in the red shift of the quantal...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7586398/ https://www.ncbi.nlm.nih.gov/pubmed/32870682 http://dx.doi.org/10.1021/acs.jpca.0c05557 |