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Exotic Spectra and Lattice Vibrations of Ice X Using the DFT Method

A typical vibrational spectrum in the ice phase has four separate bands: Translation, libration, bending, and stretching. Ice X, the final ice phase under high pressure, shows an exotic vibrational spectrum. Based on harmonic approximation, an ideal crystal of ice X has one peak, at 998 cm(−1), for...

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Detalles Bibliográficos
Autores principales:	Jiang, Lu, Yao, Shu-Kai, Zhang, Kai, Wang, Ze-Ren, Luo, Hui-Wen, Zhu, Xu-Liang, Gu, Yue, Zhang, Peng
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2018
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6278396/ https://www.ncbi.nlm.nih.gov/pubmed/30373183 http://dx.doi.org/10.3390/molecules23112780

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