Abstract
Electronic structure of (SiO2)3 clusters was calculated by the density functional method. Charge states were determined using various functionals, bond lengths and total energies of clusters were estimated.
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Original Russian Text © A.V. Petrov, I.V. Murin, A.K. Ivanov-Schitz, 2017, published in Zhurnal Obshchei Khimii, 2017, Vol. 87, No. 7, pp. 1062–1066.
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Petrov, A.V., Murin, I.V. & Ivanov-Schitz, A.K. Geometry and electronic structure of (SiO2)3 clusters. Russ J Gen Chem 87, 1456–1460 (2017). https://doi.org/10.1134/S1070363217070027
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DOI: https://doi.org/10.1134/S1070363217070027