Quantum mechanical modeling of Zn-based spinel oxides: Assessing the structural, vibrational, and electronic properties

Oliveira, Marisa Carvalho deRibeiro, Renan Augusto PontesSilva, Elson Longo daDelmonte, Maurício Roberto BomioLazaro, Sérgio Ricardo de2021-10-052020-07-06OLIVEIRA, Marisa C.; RIBEIRO, Renan A. P.; LONGO, Elson; BOMIO, Mauricio R. D.; LÁZARO, Sergio R.. Quantum mechanical modeling of Zn‐based spinel oxides: assessing the structural, vibrational, and electronic properties. International Journal Of Quantum Chemistry, [S.L.], v. 120, n. 22, p. 1-13, 6 jul. 2020. Disponível em: https://onlinelibrary.wiley.com/doi/10.1002/qua.26368. Acesso em: 22 abr. 2021. http://dx.doi.org/10.1002/qua.26368.1097-461X0020-7608https://repositorio.ufrn.br/handle/123456789/42173Attribution 3.0 Brazilhttp://creativecommons.org/licenses/by/3.0/br/DFTElectronic structureHybrid functionalZn-based spinel oxidesQuantum mechanical modeling of Zn-based spinel oxides: Assessing the structural, vibrational, and electronic propertiesarticle10.1002/qua.26368