Structural and electronic properties of M-MOF-74 (M = Mg, Co or Mn) von de Oliveira, Aline, de Lima, Guilherme Ferreira, De Abreu, Heitor Avelino

Volltext

Dynamical and electronic properties of anion-pillared metal-organic frameworks for natural gas separation von Grigoletto, Sabrina, dos Santos, Arthur Gomes, de Lima, Guilherme Ferreira, De Abreu, Heitor Avelino

Volltext

Exploring the electrochemical properties and lithium insertion mechanisms in akaganeite (β-FeOOH) - a combined DFT/experimental study von Gonçalves, Jr, Paulo Roberto Garcês, De Abreu, Heitor Avelino, Montoro, Luciano Andrey, Silva, Gabriela Cordeiro, de Mello Ferreira, Angela, Duarte, Hélio Anderson

Volltext

Reconstruction of the Chalcopyrite SurfacesA DFT Study von de Oliveira, Cláudio, de Lima, Guilherme Ferreira, de Abreu, Heitor Avelino, Duarte, Hélio Anderson

Volltext

Theoretical calculations of a porous coordination polymer formed by isonicotinylhydrazine, 1,4-benzenedicarboxylic and Co2+: electronic properties, lithium doping, and H2 adsorptio... von De Almeida, Filipe Barra, De Abreu, Heitor Avelino, Diniz, Renata

Volltext

Platinum(II) complexes with fluoroquinolones: Synthesis and characterization of unusual metal–piperazine chelates von Vieira, Lígia Maria Mendonça, Almeida, Mauro Vieira de, Abreu, Heitor Avelino de, Duarte, Hélio Anderson, Grazul, Richard Michael, Fontes, Ana Paula Soares

Volltext

Arsenic adsorption on Mn3O4 surface: As(OH)3/AsO(OH)3 oxidation mechanism von Gonçalves Jr, Paulo Roberto Garcês, De Abreu, Heitor Avelino, Duarte, Hélio Anderson

Volltext

Stability, Structural, and Electronic Properties of Hausmannite (Mn3O4) Surfaces and Their Interaction with Water von Garcês Gonçalves, Paulo Roberto, De Abreu, Heitor Avelino, Duarte, Hélio Anderson

Volltext

Unveiling the adsorption mechanism of arsenic species in the MOF-74 through an in-silico approach targeting the development of adsorbents for polluted water treatment von de Oliveira, Aline, Grigoletto, Sabrina, Fernanda Menezes Alves Vieira, Larissa, Júlia Fernandes Amorim, Sarah, Avelino De Abreu, Heitor

Volltext

Structural and electronic properties of the Metal-Organic Frameworks M−URJC−1 (M = Cu, Fe, Co or Zn): An in-silico approach aiming the application in the separation of alcohols... von de Souza, Gustavo Henrique Cassemiro, Grigoletto, Sabrina, Guimarães Júnior, Walber Gonçalves, de Oliveira, Aline, De Abreu, Heitor Avelino

Volltext

Structure, Electronic, Magnetic, and Gas Adsorption Properties of Zinc(II) and Cobalt(II) Coordination Polymers Assembled from Isonicotinylhydrazine and Trimesic Acid von de Almeida, Filipe Barra, da Silva Cunha, Mariana, Barros, Wdeson Pereira, De Abreu, Heitor Avelino, Diniz, Renata

Volltext

Acidic and basic sites of M2DEBDC (M = Mg or Mn and E = O or S) acting as catalysts for cyanosilylation of aldehydes von de Oliveira, Aline, Alves, Jessyca Soares, de Lima, Guilherme Ferreira, De Abreu, Heitor Avelino

Volltext

Computational Insights into the Formation of Methyl Formate and Glycolaldehyde via Amorphous ISM Ice von Paiva, Mateus Augusto Martins de, Galvão, Breno Rodrigues Lamaghere, De Abreu, Heitor Avelino

Volltext

The Oxidation Mechanism of Pyrites and the Sustainable Exploration of the Mineral Resources – The Computational Chemistry Contribution von Ferreira de Lima, Guilherme, Fabiana Bazan, Selma, Avelino de Abreu, Heitor, Anderson Duarte, Hélio

Volltext

Water Adsorption on the Reconstructed (001) Chalcopyrite Surfaces von de Lima, Guilherme Ferreira, de Oliveira, Cláudio, de Abreu, Heitor Avelino, Duarte, Hélio Anderson

Volltext

Uranium separation from acid mine drainage using anionic resins – An experimental/theoretical investigation of its chemical speciation and the interaction mechanism von Bertoli, Alexandre Carvalho, Quintão, Matheus Campos, De Abreu, Heitor Avelino, Ladeira, Ana Cláudia Queiroz, Duarte, Hélio Anderson

Volltext

Sulfuric and hydrochloric acid adsorption on the reconstructed sulfur terminated (001) chalcopyrite surface von de Lima, Guilherme Ferreira, de Oliveira, Cláudio, de Abreu, Heitor Avelino, Duarte, Hélio Anderson

Volltext

Tunable discotic building blocks for liquid crystalline displays von Gemming, Sibylle, Schreiber, Michael, Thiel, Werner, Heine, Thomas, Seifert, Gotthard, Avelino de Abreu, Heitor, Anderson Duarte, Helio

Volltext

Density-Functional Theory Study of Iron(III) Hydrolysis in Aqueous Solution von De Abreu, Heitor Avelino, Guimarães, Luciana, Duarte, Hélio Anderson

Volltext

Fe(II) hydrolysis in aqueous solution: A DFT study von Guimarães, Luciana, de Abreu, Heitor Avelino, Duarte, Hélio Anderson

Volltext