Performance of a modified hybrid functional in the simultaneous description of stoichiometric and reduced TiO 2 polymorphs

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Authors: Kyoung Chul Ko, Oriol Lamiel-García, Jin Yong Lee, Francesc Illas

Journal title: Phys. Chem. Chem. Phys.

Journal number: 18/17

Journal publisher: Royal Society of Chemistry

Published year: 2016

Published pages: 12357-12367

DOI identifier: 10.1039/C6CP00912C

ISSN: 1463-9076