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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...

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Detalles Bibliográficos
Autores principales:	Yuan, Xiao-Qing, Yu, Xu-Hao, Zhu, Xu-Liang, Wang, Xue-Chun, Liu, Xiao-Yan, Cao, Jing-Wen, Qin, Xiao-Ling, Zhang, Peng
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2022
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

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