Browsing by Subject "B3LYP"

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    • Estudo teórico das propriedades ópticas dos BaWO4 e PbWO4 

      Ferreira, Márcio Douvel (Universidade Federal de São Carlos, UFSCar, Programa de Pós-Graduação em Química - PPGQ, , 21/09/2012)
      Among the scheelites, we highlight the Barium Tungstats (BaWO4) and lead tungstate (PbWO4). These compounds can be synthesized by various synthetic routes. However, we can highlight the hydrothermal synthesis method assisted ...