Listar por tema "Theoretical study"

Mostrando ítems 1-2 de 2

    • closedAccess   A Topological Study of the Decomposition of 6,7,8-Trioxabicyclo[3.2.2]nonane Induced by Fe(II): Modeling the Artemisinin Reaction with Heme 

      Moles Tena, Pamela; Oliva, Mónica; Sánchez González, Ángel; Safont Villarreal, Vicent Sixte American Chemical Society (2010)
      We report a theoretical study on the electronic and topological aspects of the reaction of dihydrated Fe(OH)2 with 6,7,8-trioxabicyclo[3.2.2]nonane, as a model for the reaction of heme with artemisinin. A comparison is ...

    • 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 ...