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Mapping uncharted territory in ice from zeolite networks to ice structures
Ice is one of the most extensively studied condensed matter systems. Yet, both experimentally and theoretically several new phases have been discovered over the last years. Here we report a large-scale density-functional-theory study of the configuration space of water ice. We geometry optimise 74,9...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5988809/ https://www.ncbi.nlm.nih.gov/pubmed/29872048 http://dx.doi.org/10.1038/s41467-018-04618-6 |