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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
Verified email at ufmg.br - Homepage
Title
Cited by
Cited by
Year
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
3612005
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
3282010
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
2712001
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
2682009
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
2312007
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
1572016
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
1522014
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
1492000
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
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
1242007
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
1222017
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
1152012
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
962010
StoBe-DeMon, version 3.0
K Hermann, LGM Pettersson, ME Casida, C Daul, A Goursot, A Koester, ...
STOBE software, 2002
912002
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
822005
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
802008
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
792018
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
722006
Self‐assembled Monolayers of Alkylphosphonic Acids on Aluminum Oxide Surfaces–A Theoretical Study
R Luschtinetz, AF Oliveira, HA Duarte, G Seifert
Zeitschrift für anorganische und allgemeine Chemie 636 (8), 1506-1512, 2010
712010
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