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- W2076382218 abstract "Using the Car-Parrinello method, we have obtained unforeseen structures for the low-lying isomers of ${mathrm{Si}}_{45}$ and other midsized Si clusters. They are formed by two shells of atoms, the outer one (cage) being fullerenelike and inner one (core) consisting of a few atoms saturating dangling bonds. These novel structures provide for the first time a consistent interpretation of the available experimental data, including the reactivity trends and the structural transition at a size of ensuremath{sim}25 atoms." @default.
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- W2076382218 date "1994-01-31" @default.
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- W2076382218 title "Structure of nanoscale silicon clusters" @default.
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- W2076382218 doi "https://doi.org/10.1103/physrevlett.72.665" @default.
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