Computing Investigations of Molecular and Atomic Vibrations of Ice IX

[Image: see text] The normal modes of ice IX were investigated using the CASTEP code package, which is based on density functional theory. We found that the translational modes could be divided into three categories: four-bond vibrations, which possessed the highest energy; two-bond vibrations, whic...

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Detalles Bibliográficos
Autores principales: Zhao, Zeng-Ji, Qin, Xiao-Ling, Cao, Jing-Wen, Zhu, Xu-Liang, Yang, Ye-Chen, Wang, Hao-Cheng, Zhang, Peng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6854819/
https://www.ncbi.nlm.nih.gov/pubmed/31737855
http://dx.doi.org/10.1021/acsomega.9b03190

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6854819/
https://www.ncbi.nlm.nih.gov/pubmed/31737855
http://dx.doi.org/10.1021/acsomega.9b03190

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