Artigo

Chemoselective Ru-Catalyzed Oxidative Lactamization vs Hydroamination of Alkynylamines: Insights from Experimental and Density Functional Theory Studies

31 de agosto de 2023 LAbI UFSCar 0

Chemoselective Ru-Catalyzed Oxidative Lactamization vs Hydroamination of Alkynylamines: Insights from Experimental and Density Functional Theory Studies Abstract: The Ru-catalyzed intramolecular oxidative amidation (lactamization) of aromatic alkynylamines with 4-picoline N-oxide as an external oxidant has been […]

Artigo

A 3D platform for the morphology modulation of materials: first principles calculations on the thermodynamic stability and surface structure of metal oxides: Co3O4, alpha-Fe2O3, and In2O3

16 de janeiro de 2016 CDMF 0

Writers: M M Ferrer, A F Gouveia, L Gracia, E Longo and J Andrés Keywords: morphology, Wulff construction, surface energy, Co3O4, α-Fe2O3, In2O3 Abstract: Essentially, the exposed crystal planes of a given material, which primarily determine their morphology, tremendously […]