Cargando…
Computational Analysis of Exotic Molecular and Atomic Vibrations in Ice XV
It is always difficult to assign the peaks of a vibrational spectrum in the far-infrared region. The two distinct peaks seen in many ice phases are still a mystery to date. The normal modes of ice XV were calculated using the CASTEP code based on first-principles density functional theory. On the ba...
| Autores principales: | , , , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2019
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6749349/ https://www.ncbi.nlm.nih.gov/pubmed/31461964 http://dx.doi.org/10.3390/molecules24173115 |