Browsing Teses e dissertações by Subject "Theoretical calculations"
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Estrutura cristalina e eletrônica do CaS: teoria do funcional de densidade aplicada a modelos periódicos
(Universidade Federal de São Carlos, UFSCar, Programa de Pós-Graduação em Química - PPGQ, , 26/02/2014)The incessant search for better materials with diverse applications and increasingly smaller size has been performed by numerous research groups. The calcium sulfide semiconductors have been the focus of study for applications ...