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Comparative Analysis of the Hydrogen Bond Vibrations of Ice XII
[Image: see text] It is difficult to theoretically study the vibrational spectrum of hydrogen-disordered ice XII compared with its hydrogen-ordered counterpart, ice XIV. We constructed a 24-molecule supercell of ice XII to mimic its real structure. We focused on hydrogen bond (HB) vibrational modes...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8792919/ https://www.ncbi.nlm.nih.gov/pubmed/35097289 http://dx.doi.org/10.1021/acsomega.1c06000 |