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• W2413370055 abstract "The global minimum structure of borospherene (B40) 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 transformation is found to be 14.3 kcal · mol(-1). The completely delocalized σ- and π-frameworks, as well as the conservation of the bonding pattern during rearrangement, facilitate the dynamical behavior of B40. B40 is predicted to act as a support-free spherical two-dimensional liquid at moderate temperature. In other words, B40 could be called as a nanobubble." @default.
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• W2413370055 date "2015-06-22" @default.
• W2413370055 modified "2023-10-18" @default.
• W2413370055 title "Dynamical behavior of Borospherene: A Nanobubble" @default.
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• W2413370055 doi "https://doi.org/10.1038/srep11287" @default.
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