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- W2089166951 endingPage "2198" @default.
- W2089166951 startingPage "2195" @default.
- W2089166951 abstract "Predictions of Stone's tensor-surface-harmonic theory [Mol. Phys. 41, 1339 (1980)] for bonding in small silicon clusters are tested by ab initio calculations. Stable geometries, along with the energies and symmetries of the occupied molecular orbitals, may all be rationalized within the model. For example, local energy minima for ${mathrm{Si}}_{mathit{n}}^{2mathrm{ensuremath{-}}}$ clusters are found which are isostructural to the borane and carborane clusters ${mathrm{B}}_{mathit{n}}$${mathrm{H}}_{mathit{n}}^{2mathrm{ensuremath{-}}}$ and ${mathrm{C}}_{2}$${mathrm{B}}_{mathit{n}mathrm{ensuremath{-}}2}$${mathrm{H}}_{mathit{n}}$. In particular, both ${mathrm{Si}}_{12}^{2mathrm{ensuremath{-}}}$ and ${mathrm{Si}}_{13}^{2+}$ exhibit icosahedral geometries which are true minima." @default.
- W2089166951 created "2016-06-24" @default.
- W2089166951 creator A5022301289 @default.
- W2089166951 date "1994-03-01" @default.
- W2089166951 modified "2023-10-11" @default.
- W2089166951 title "Electronic structure of small silicon clusters" @default.
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- W2089166951 doi "https://doi.org/10.1103/physreva.49.2195" @default.
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