The coupling of the hydrated proton to its first solvation shell
The Zundel [H(H2O)2]+ and Eigen [H(H2O)4]+ cations exhibit radicallly different infrared spectra and are the limiting dynamical structures involved in proton mobility in liquid water. Here, the authors find through quantum dynamics simulations that two polarized water molecules and a proton suffice...
| Principais autores: | , , , , |
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| Formato: | Artigo |
| Idioma: | English |
| Publicado em: |
Nature Portfolio
2022-10-01
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| coleção: | Nature Communications |
| Acesso em linha: | https://doi.org/10.1038/s41467-022-33650-w |