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Performance of a modified hybrid functional in the simultaneous description of stoichiometric and reduced TiO2 polymorphs
Ko, Kyoung Chul; Lamiel Garcia, Josep Oriol; Lee, Jin Yong; Illas i Riera, Francesc
Universitat de Barcelona
-Diòxid de titani
-Teoria del funcional de densitat
-Teoria de l'aproximació
-Titanium dioxide
-Density functionals
-Approximation theory
(c) Ko, Kyoung Chul et al., 2016
Article
Article - Accepted version
Royal Society of Chemistry
         

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