ListarQFA_Articles por tema "Theoretical calculations"

Mostrando ítems 1-2 de 2

    • openAccess   Structural study of α-Bi2O3 under pressure 

      Pereira, André L. J.; Errandonea, Daniel; Beltran, Armando; Gracia, Lourdes; Gomis Hilario, Óscar; Sans, Juan A.; García-Domene, B.; Miquel-Veyrat, A.; Manjón, F. J.; Muñoz, Alfonso; Popescu, Catalin IOP Publishing (2013)
      An experimental and theoretical study of the structural properties of monoclinic bismuth oxide (α-Bi2O3) under high pressures is here reported. Both synthetic and mineral bismite powder samples have been compressed up to ...

    • closedAccess   Synthesis, antifungal evaluation and optical properties of silver molybdate microcrystals in different solvents: a combined experimental and theoretical study 

      Fabbro, Maria T.; Foggi, Camila Cristina; Santos, Luís P. S.; Gracia, Lourdes; Perrin, André; Perrin, Christiane; Vergani, Carlos; Machado Maciel, Ana Lúcia; Andres, Juan; Cordoncillo, Eloisa; Longo, Elson Royal Society of Chemistry (2016)
      In this study, we investigate the structure, antifungal activity, and optical properties of β-Ag2MoO4 using experimental and theoretical approaches. β-Ag2MoO4 samples were prepared by a co-precipitation method using ...