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The normal modes of lattice vibrations of ice XI

The vibrational spectrum of ice XI at thermal wavelengths using the CASTEP code, a first-principles simulation method, is investigated. A dual-track approach is constructed to verify the validity for the computational phonon spectrum: collate the simulated spectrum with inelastic neutron scattering...

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Detalles Bibliográficos
Autores principales: Zhang, Peng, Wang, Zhe, Lu, Ying-Bo, Ding, Zheng-Wen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4931684/
https://www.ncbi.nlm.nih.gov/pubmed/27375199
http://dx.doi.org/10.1038/srep29273