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- W2016322457 abstract "We present an ab initio all electron theoretical investigation of the geometrical and electronic structures of icosahedral Si60, using STO-3G, STO-3G*, 3-21G and 6-31G basis sets. The effect of the addition of polarization functions and the increase of the size of the basis set, in both geometrical and electronic structures, is analysed in detail. Results are compared to other levels of theory." @default.
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- W2016322457 title "Ab initio investigation of icosahedral Si60" @default.
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- W2016322457 doi "https://doi.org/10.1016/0379-6779(96)80047-6" @default.
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