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Issue DateTitleAuthor(s)
1-Jan-2009Electronic structure of III-V’s semiconductors from B3LYP and PBE0 functionalsTomic, S; Harrison, NM; Caldas MJ, Studart N
7-May-2013A hybrid-exchange density functional study of Ca-doped LaMnO3Korotana, R; Mallia, G; Gercsi, Z; Harrison, NM
23-Nov-2011A Hybrid Density Functional Study of Water Adsorption on Rutile TiO2(110) for Applications in Solar Hydrogen ProductionPatel, M; Mallia, G; Liborio, L; Harrison, NM