Browsing by Author "Tiznado, William"

Now showing items 1-3 of 3

    • Boron avoids cycloalkane-like structures in the LinBnH2n series 
      Vásquez Espinal, Alejandro; Torres Vega, Juan; Alvarez Thon, Luis; Fuentealba Rosas, Patricio; Islas, Rafael; Tiznado, William (Royal Society of Chemestry, 2016)
      The stability of the LinBnH2n (n = 3-6) series was analyzed using quantum chemical calculations, and it was found that cyclic isomers are not energetically favored. This is different to what happens in their organic ...
    • In silico study of coumarins and quinolines derivatives as potent inhibitors of sars-cov-2 main protease 
      Yáñez, Osvaldo; Osorio, Manuel Isaías; Uriarte, Eugenio; Areche Medina, Carlos Alberto; Tiznado, William; Pérez Donoso, José M.; García Beltrán, Olimpo José; González Nilo, Fernando Danilo (Frontiers Media, 2021)
      The pandemic that started in Wuhan (China) in 2019 has caused a large number of deaths, and infected people around the world due to the absence of effective therapy against coronavirus 2 of the severe acute respiratory ...
    • Insights into the hydrogen dissociation mechanism on lithium edge-decorated carbon rings and graphene nanoribbon 
      Vásquez Espinal, Alejandro; Pino Ríos, Ricardo; Fuentealba Rosas, Patricio; Orellana, Walter; Tiznado, William (Elsevier, 2016)
      The purpose of this study is to show that H-2 is easily dissociated on lithium edge decorated carbon systems to form strong C-H and Li-H bonds. This mechanism has not been considered in previous studies where these kinds ...