Modelling realistic TiO 2 nanospheres: A benchmark study of SCC-DFTB against hybrid DFT

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Authors: Daniele Selli, Gianluca Fazio, Cristiana Di Valentin

Journal title: The Journal of Chemical Physics

Journal number: 147/16

Journal publisher: American Institute of Physics

Published year: 2017

Published pages: 164701

DOI identifier: 10.1063/1.4994165

ISSN: 0021-9606