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Dynamical behavior of Borospherene: A Nanobubble
The global minimum structure of borospherene (B(40)) is a cage, comprising two hexagonal and four heptagonal rings. Born-Oppenheimer Molecular Dynamics simulations show that continuous conversions in between six and seven membered rings take place. The activation energy barrier for such a transforma...
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| Publicado no: | Sci Rep |
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| Main Authors: | , , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4476142/ https://ncbi.nlm.nih.gov/pubmed/26096039 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep11287 |
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