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Ab initio-enabled phase transition prediction of solid carbon dioxide at ultra-high temperatures
Carbon dioxide is one of the fundamental chemical species on Earth, but its solid-phase behavior at high pressures is still far from well understood and some phases remain uncertain or unknown, which increases the challenge to predict its structures. The difficulty of theoretical prediction arises f...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9049158/ https://www.ncbi.nlm.nih.gov/pubmed/35492555 http://dx.doi.org/10.1039/c9ra06478h |