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Self-assembly of endohedral metallofullerenes: a decisive role of cooling gas and metal–carbon bonding
The endohedral metallofullerene (EMF) self-assembly process in Sc/carbon vapor in the presence and absence of an inert cooling gas (helium) is systematically investigated using quantum chemical molecular dynamics simulations. It is revealed that the presence of He atoms accelerates the formation of...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Royal Society of Chemistry
2016
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4847527/ https://www.ncbi.nlm.nih.gov/pubmed/26815243 http://dx.doi.org/10.1039/c5nr08645k |