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Effect of Chemical Order in the Structural Stability and Physicochemical Properties of B(12)N(12) Fullerenes
The effect of chemical order in the structural and physicochemical properties of B(12)N(12) [4,6]-fullerene (BNF) isomers was evaluated using density functional theory and molecular dynamic calculations. The feasibility to find stable BNF isomers with atomic arrangement other than the well-known oct...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6848210/ https://www.ncbi.nlm.nih.gov/pubmed/31712591 http://dx.doi.org/10.1038/s41598-019-52981-1 |