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"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
E-mail confirmado em ufmg.br - Página inicial
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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
3592005
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
3202010
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
2672001
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
2642009
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
2282007
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
1482008
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
1472000
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
1442016
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
1422014
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
1351999
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
1222007
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
1142017
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
1082012
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
922010
StoBe-DeMon, version 3.0
K Hermann, LGM Pettersson, ME Casida, C Daul, A Goursot, A Koester, ...
STOBE software, 2002
882002
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
802005
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
792008
Stability, Structural, and Electronic Properties of Hausmannite (Mn3O4) Surfaces and Their Interaction with Water
PR Garces Goncalves Jr, HA De Abreu, HA Duarte
The Journal of Physical Chemistry C 122 (36), 20841-20849, 2018
712018
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
702008
Índices de reatividade química a partir da teoria do funcional de densidade: formalismo e perspectivas
HA Duarte
Química Nova 24, 501-508, 2001
692001
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Artigos 1–20