Browsing by Author "730f9b74-3b48-462a-bdae-d5201f2222b4"

Now showing items 1-2 of 2

    • Insights on the mechanism, reactivity and selectivity of fructose and tagatose dehydration into ... 
      Meneses Olmedo, Lorena Maribel; Cuesta Hoyos, Sebastián; Salgado Morán, Guillermo; Cardona Villada, Wilson; Gerli Candia, Lorena A.; Mendoza Huizar, Luis H (Elsevier, 2020)
      In this study, a computational DFT study was performed to propose a new acid catalyzed mechanism to produce 5HMF from D-Fructose and D-Tagatose. The reactivity and selectivity towards 5HMF formation were analyzed, and the ...
    • Theoretical investigation of the molecular structure and molecular docking of etoricoxib 
      Sadasivam, Kandasamy; Salgado Morán, Guillermo; Mendoza Huizar, Luis Humberto; Cardona Villada, Wilson; Gerli Candia, Lorena; Meneses Olmedo, Lorena Maribel; Cuesta Hoyos, Sebastián (Soc Chilena Química, 2020)
      In this work, a computational chemical study of Etoricoxib was carried out at the X/6311G(d,p) (where X=B3LYP, M06 and omega B97XD) level of theory, at the gas, aqueous and ethanol phases. Through the chemical reactivity ...