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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...
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| Publicado no: | J Phys Chem A |
|---|---|
| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical
Society
2020
|
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7586398/ https://ncbi.nlm.nih.gov/pubmed/32870682 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpca.0c05557 |
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