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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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| Publicado no: | ACS Omega |
|---|---|
| Main Authors: | , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical Society
2019
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6854819/ https://ncbi.nlm.nih.gov/pubmed/31737855 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.9b03190 |
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