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Ti(12)C(68): A stable T(h)-symmetry hollow cage
A stable T(h)-symmetry Ti(12)C(68) cage was systemically investigated using density functional theory. The structure of Ti(12)C(68) is a hollow cage with twelve TiC(13) subunit of three pentagons and one hexagon. The calculated frequencies are in the range 95.1 cm(−1)–1423.9 cm(−1). There are no ima...
| 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/PMC5843587/ https://www.ncbi.nlm.nih.gov/pubmed/29520030 http://dx.doi.org/10.1038/s41598-018-22381-y |