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Investigations of the Hydrogen Bonds and Vibrational Spectra of Clathrate Ice XVI

Natural gas hydrates are ice-like crystalline materials formed from natural gas and clathrate ice under high pressure and low temperature. Ice XVI, the first S-II type clathrate ice produced in the lab, was simulated by first-principles density functional theory with the CASTEP code. A 34-molecule s...

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Detalles Bibliográficos
Autores principales: Wang, Ze-Ren, Zhu, Xu-Liang, Jiang, Lu, Zhang, Kai, Luo, Hui-Wen, Gu, Yue, Zhang, Peng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6356410/
http://dx.doi.org/10.3390/ma12020246