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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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Detalles Bibliográficos
Autores principales:	Martínez-Guajardo, Gerardo, Luis Cabellos, José, Díaz-Celaya, Andres, Pan, Sudip, Islas, Rafael, Chattaraj, Pratim K., Heine, Thomas, Merino, Gabriel
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group 2015
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4476142/ https://www.ncbi.nlm.nih.gov/pubmed/26096039 http://dx.doi.org/10.1038/srep11287

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