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- W2023873357 abstract "We have carried out quantum-mechanical calculations of the quasione-dimensional, quasitwo-dimensional and bulk cubane-based structures by means of a nonorthogonal tight- binding potential. The possible existence of these compounds is predicted. Geometries and energetic properties are calculated. We found that the density of supercubane structure is only 2.7 g/cm3 and it is not a high-density polymorph. The intermolecular bond in such a structure equals to 1.460 Å." @default.
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- W2023873357 date "2008-10-01" @default.
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- W2023873357 title "Theoretical modeling of the cubane-based chains, networks and bulks" @default.
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- W2023873357 doi "https://doi.org/10.1088/1742-6596/129/1/012045" @default.
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