Browsing Teses e dissertações by Subject "Química quântica"

Now showing items 1-2 of 2

    • Estudo computacional da enzima gGAPDH do Trypanosoma cruzi 

      Oliveira, Osmair Vital de (Universidade Federal de São Carlos, UFSCar, Programa de Pós-Graduação em Química - PPGQ, , 05/06/2009)
      Theoretical methods in computational chemistry were used to study the gGAPDH enzyme from Trypanosoma cruzi. This protozoan is responsible by the Chagas diseases. Molecular dynamics simulations were performed to obtain the ...

    • Estudo da estrutura eletrônica dos matewriais PbTiO3 e Pb1-XMXTiO3 (M=Ca, Sr, Ba). 

      Lazaro, Sergio Ricardo de (Universidade Federal de São Carlos, UFSCar, Programa de Pós-Graduação em Química - PPGQ, , 15/09/2006)
      In this project about STUDY OF THE STRUCTURE ELECTRONIC OF THE PbTiO3 MATERIAL is presented results, discussions and conclusions to respect of the use of theoretical-computational chemistry in the modeling of structures ...