Pyrite Oxidation Mechanism by Oxygen in Aqueous Medium
Dos Santos, Egon Campos, de Mendonça Silva, Juliana Cecília, Duarte, Hélio Anderson
Published in Journal of physical chemistry. C (11.02.2016)
Published in Journal of physical chemistry. C (11.02.2016)
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Journal Article
Reconstruction of the Chalcopyrite SurfacesA DFT Study
de Oliveira, Cláudio, de Lima, Guilherme Ferreira, de Abreu, Heitor Avelino, Duarte, Hélio Anderson
Published in Journal of physical chemistry. C (15.03.2012)
Published in Journal of physical chemistry. C (15.03.2012)
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Journal Article
Accurate SCC-DFTB Parametrization for Bulk Water
Lourenço, Maicon Pierre, dos Santos, Egon Campos, Pettersson, Lars G. M, Duarte, Hélio Anderson
Published in Journal of chemical theory and computation (10.03.2020)
Published in Journal of chemical theory and computation (10.03.2020)
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Journal Article
Dynamical Discrete/Continuum Linear Response Shells Theory of Solvation: Convergence Test for NH4 + and OH− Ions in Water Solution Using DFT and DFTB Methods
de Lima, Guilherme Ferreira, Duarte, Hélio Anderson, Pliego, Josefredo R
Published in The journal of physical chemistry. B (09.12.2010)
Published in The journal of physical chemistry. B (09.12.2010)
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Journal Article
Chemical Speciation of Metal Complexes from Chemical Shift Calculations: The Interaction of 2‑Amino‑N‑hydroxypropanamide with V(V) in Aqueous Solution
Duarte, Hélio Anderson, Vankova, Nina, Ferreira, Isabella Pires, Paniago, Eucler B, Heine, Thomas
Published in The journal of physical chemistry. B (03.10.2013)
Published in The journal of physical chemistry. B (03.10.2013)
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Journal Article
The effect of the heteroatom (X=P, As, Si and Ge) on the geometrical and electronic properties of α-Keggin polyoxometalates (M=Mo, W and Nb) – A DFT investigation
Steffler, Fernando, De Lima, Guilherme Ferreira, Duarte, Hélio Anderson
Published in Journal of molecular structure (05.08.2020)
Published in Journal of molecular structure (05.08.2020)
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Journal Article
Exploring the effect of isomorphically Al-substituted on the thermodynamical and structural properties of hematite and goethite – A DFT investigation
Guimarães, Walber Gonçalves, de Lima, Guilherme Ferreira, Duarte, Hélio Anderson
Published in Hydrometallurgy (01.08.2023)
Published in Hydrometallurgy (01.08.2023)
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Journal Article
Combined experimental powder X-ray diffraction and DFT data to obtain the lowest energy molecular conformation of friedelin
Oliveira, Djalma Menezes de, Mussel, Wagner da Nova, Duarte, Lucienir Pains, Silva, Grácia Divina de Fátima, Duarte, Hélio Anderson, Gomes, Elionai Cassiana de Lima, Guimarães, Luciana, Vieira Filho, Sidney A.
Published in Química Nova (2012)
Published in Química Nova (2012)
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Recovery of rare earth elements from sulfate-rich acid mine water: Looking through the keyhole the exchange reaction for cationic resin
Silva, Gabriela Cordeiro, Bertoli, Alexandre Carvalho, Duarte, Hélio Anderson, Ladeira, Ana Cláudia Queiroz
Published in Journal of environmental chemical engineering (01.12.2022)
Published in Journal of environmental chemical engineering (01.12.2022)
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