"Helio Anderson Duarte"  OU "Helio A. Duarte" ou "H. A. Duarte"
"Helio Anderson Duarte" OU "Helio A. Duarte" ou "H. A. Duarte"
Department of Chemistry, Universidade Federal de Minas Gerais
Verified email at - Homepage
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An Efficient a Posteriori Treatment for Dispersion Interaction in Density-Functional-Based Tight Binding
L Zhechkov, T Heine, S Patchkovskii, G Seifert, HA Duarte
Journal of Chemical Theory and Computation 1 (5), 841-847, 2005
Structural, electronic, and mechanical properties of single-walled halloysite nanotube models
L Guimaraes, AN Enyashin, G Seifert, HA Duarte
The Journal of Physical Chemistry C 114 (26), 11358-11363, 2010
Mechanism of anion retention from EXAFS and density functional calculations: arsenic (V) adsorbed on gibbsite
ACQ Ladeira, VST Ciminelli, HA Duarte, MCM Alves, AY Ramos
Geochimica et Cosmochimica Acta 65 (8), 1211-1217, 2001
Density-functional based tight-binding: an approximate DFT method
AF Oliveira, G Seifert, T Heine, HA Duarte
Journal of the Brazilian Chemical Society 20, 1193-1205, 2009
Imogolite nanotubes: stability, electronic, and mechanical properties
L Guimarães, AN Enyashin, J Frenzel, T Heine, HA Duarte, G Seifert
Acs Nano 1 (4), 362-368, 2007
Energy gaps of α, α ‘-substituted oligothiophenes from semiempirical, ab initio, and density functional methods
MA De Oliveira, HA Duarte, JM Pernaut, WB De Almeida
The Journal of Physical Chemistry A 104 (35), 8256-8262, 2000
Adsorption of phosphonic and ethylphosphonic acid on aluminum oxide surfaces
R Luschtinetz, AF Oliveira, J Frenzel, JO Joswig, G Seifert, HA Duarte
Surface Science 602 (7), 1347-1359, 2008
Pyrite oxidation mechanism by oxygen in aqueous medium
EC Dos Santos, JC de Mendonça Silva, HA Duarte
The Journal of Physical Chemistry C 120 (5), 2760-2768, 2016
First-principles calculations and electron density topological analysis of covellite (CuS)
A Morales-García, AL Soares Jr, EC Dos Santos, HA De Abreu, ...
The Journal of Physical Chemistry A 118 (31), 5823-5831, 2014
Importance of tautomers in the chemical behavior of tetracyclines
HA Duarte, S Carvalho, EB Paniago, AM Simas
Journal of pharmaceutical sciences 88 (1), 111-120, 1999
Study of angiotensin-(1–7) vasoactive peptide and its β-cyclodextrin inclusion complexes: complete sequence-specific NMR assignments and structural studies
I Lula, ÂL Denadai, JM Resende, FB de Sousa, GF de Lima, ...
Peptides 28 (11), 2199-2210, 2007
Stability and Effects of Subsurface Oxygen in Oxide-Derived Cu Catalyst for CO2 Reduction
C Liu, MP Lourenço, S Hedström, F Cavalca, O Diaz-Morales, ...
The Journal of Physical Chemistry C 121 (45), 25010-25017, 2017
Reconstruction of the Chalcopyrite Surfaces A DFT Study
C de Oliveira, GF de Lima, HA de Abreu, HA Duarte
The Journal of Physical Chemistry C 116 (10), 6357-6366, 2012
Disulphide and metal sulphide formation on the reconstructed (0 0 1) surface of chalcopyrite: A DFT study
C de Oliveira, HA Duarte
Applied Surface Science 257 (4), 1319-1324, 2010
StoBe-DeMon, version 3.0
K Hermann, LGM Pettersson, ME Casida, C Daul, A Goursot, A Koester, ...
STOBE software, 2002
H2 Adsorption in Metal‐Organic Frameworks: Dispersion or Electrostatic Interactions?
A Kuc, T Heine, G Seifert, HA Duarte
Chemistry–A European Journal, 6597-6600, 2008
Structural and electronic properties of bulk gibbsite and gibbsite surfaces
J Frenzel, AF Oliveira, HA Duarte, T Heine, G Seifert
Zeitschrift für anorganische und allgemeine Chemie 631 (6‐7), 1267-1271, 2005
Density-functional theory study of iron (III) hydrolysis in aqueous solution
HA De Abreu, L Guimarães, HA Duarte
The Journal of Physical Chemistry A 110 (24), 7713-7718, 2006
Antioxidant activity of (+)-bergenin—a phytoconstituent isolated from the bark of Sacoglottis uchi Huber (Humireaceae)
HA De Abreu, IAS Lago, GP Souza, D Piló-Veloso, HA Duarte, ...
Organic & Biomolecular Chemistry 6 (15), 2713-2718, 2008
Improved quantum mechanical study of the potential energy surface for the bithiophene molecule
HA Duarte, HF Dos Santos, WR Rocha, WB De Almeida
The Journal of Chemical Physics 113 (10), 4206-4215, 2000
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