Recentes Publicacoes / Recent Publications

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HéHelio A Duarte

Publicacoes/Publications

Trabalhos Completos em Eventos / Published Works in Proceedings

Livros e Capitulos de Livro Publicados / Published Books and Chapters of Book

Divulgacao Cientifica / Scientific dissemination

Tese / Thesis

Publicacoes/Publications

    2025
  1. <DOI> Alexandre B. de Carvalho, Bruna V. Paes, Ana Paula A. Oliveira, Bernardo L. Rodrigues, Helio A. Duarte, Heloisa O. Beraldo; " Structural studies and physicochemical properties of indium(III) complexes with 2-formyl-8-hydroxyquinoline-derived hydrazones", J. Mol. Struct., 1322, 140557 (2025).
    2. 2024
  2. <DOI> Olayinka O. Oluwasina, Adedeji A. Adelodun, Olugbenga O. Oluwasina, Helio A. Duarte, Sunday J. Olusegun; "Experimental and computational studies of crystal violet removal from aqueous solution using sulfonated graphene oxide", Sci. Rep., 14:6207 (2024).
  3. <DOI> Walber Guimaraes Goncalves Jr., Guilherme Ferreira de Lima, Helio A. Duarte; "Surface Energies, Al-Substitution Effects, and Water Adsorption on Ferrihydrite: Insights from Density Funcitonal Theory Calculations", J. Phys. Chem. C, 128(41), 17723-17730.
  4. <DOI> Paulo Roberto Garces Goncalves Jr., Heitor Avelino de Abreu, Luciano Andrey Montoro, Gabriela Cordeiro Silva, Angela de Mello Ferreira, Helio A. Duarte; "Exploring the electrochemical properties and lithium insertion mechanisms in Akaganeite (b-FeOOH)-A combined DFT/Experimental Study", Phys. Chem. Chem. Phys. accepted (2024).
  5. <DOI> Alexandre C. Bertoli, Pedro A. A. Novaes, Luciano T. Costa, Wagner B. De Almeida, Helio A. Duarte; "Insights intro Rare Earth Element Speciation: Unraveling Sulfate and Hydrolysis Complexes Thrugh DFT Calculations", J. Mol. Mod. accepted (2024).
    6. 2023
  6. <DOI> Walber G. Guimaraes Jr, Guilherme F. de Lima, Helio A. Duarte; "Probing the local environment of Al-substitution into ferrihydrite using DFT+U calculations", J. Phys. Chem. C, 127(6),3285-3294 (2023).
  7. <DOI> Walber G. Guimaraes Jr, Guilherme F. de Lima, Helio A. Duarte; "Exploring the effect of isomorphically Al-substitued on the Thermodynamical and structural properties of hematite and goethite.", Hydrometallurgy, 221, 106125 (2023). For a reprint: < Click here>
  8. <DOI> Ericson H. N. S. Thaines, Aline C. Oliveira, Leandro A. Pocrifka, Helio A. Duarte, Renato G. Freitas; "Influence of Fe-doping on the structural and electronic properties of the TiO2 anatase:rutile", J. Phys. Chem. C, 127, 22518-22529 (2023).
    9. 2022
  9. <DOI> Gabriela C. Silva, Alexandre C. Bertoli, Helio A. Duarte, Ana Claudia Q. Ladeira; "Recovery of rare earth elemnts from sulfate-rich acid mine water: looking through the keyhole the exchange reaction for cationic resin", J. Environ. Chem. Eng., 10, 108715-9 (2022).
  10. <DOI> Selma F. Bazan, Helio A. Duarte, Guilherme F. De Lima; "A DFT study of the adsorption of O2 and [Fe(H2O)(OH)3] on the (001) and (112) surfaces of chalcopyrite", J. Mol. Model., 28, 257 (2022).
  11. <DOI> Beatriz L. de M. Gomes, Alexandre Bertoli, Helio A. Duarte; "Growing mechanism of polysulfides and elemental sulfur formation - implications to hindered chalcopyrite dissoluion", J. Phys. Chem. A, 126,1660-1665 (2022).
  12. <DOI> Paulo G. Goncalves Jr., Heitor A. De Abreu, Hélio A. Duarte; "Arsenic adsorption on Mn3O4 surface? As(OH)3/AsO(OH)3 oxidation mechanism", Appl. Surf. Sci., 580,152213 (2022). For a reprint:<Click here>
  13. <DOI> Guilherme F. de Lima, Selma F. Bazan, Heitor A. De Abreu, Hélio A. Duarte;"O mecanismo de oxidacao das piritas e a exploracao sustentavel dos recursos minerais - A congribuicao da Quimica Computacional", Rev. Virt. Quim., 14(3), 450-567 (2022).
    14. 2021
  14. <DOI> Walber G. Guimaraes Jr, Guilherme F. De Lima, Hélio A. Duarte; "Comparative DFT study of the oxy(hydr)oxides of iron and aluminum - structural, electronic and surface properties", Surf. Sci., 708,121821 (2021). For a reprint:<Click here>
  15. <DOI> O. Ayodele, Sunday J. Olusegun, Olugbenga O. Oluwasina, Elvis A. Okoronkwo, Edward O. Olanipekun, Nelcy D. S. Mohallem, Walber G. Guimaraes Jr, Beatriz L. F. de M. Gomes, Guilhermina de O. Souza, Hélio A. Duarte; "Experimental and theoretical studies of the adsorption of Cu and Ni ions from wastewater by hydroxyapatite drived from eggshells", Environ. Nanotechn. Monitor. Manag., 15, 100439 (2021). For a reprint:<Click here>
  16. <DOI> Alexandre Bertoli, Ana Gabriela C. Miguita, Raquel M. Mingote, Rodinei Augusti, Hélio . Duarte; "Unveiling the Zirconium and Hafnium speciation in fluoride-nitric acid solutions by paper spray ionization mass spectrometry combined with DFT calculations", Eur. J. Inorg. Chem., 12, 1175-1185 (2021)
  17. <DOI> Angela Andrade, Thais Cardoso, Sergio Thomosi, Meiry Alvarenga, Mirra Silva, Elisangela Jaqueline Magalhaes, Hélio A. Duarte, Kátia de Almeida; "A Simple and Efficient Method for Simultaneous Quantification of Levodopa and Crabidopa based on controlled oxidation process", Chemical Paper, 75, 3091-3102 (2021).
    18. 2020
  18. <DOI> Maicon P. Lourenco, Egon C. dos Santos, Lars G. L. Pettersson, Hélio Anderson Duarte; Accurate SCC-DFTB parameterization for bulk water", J. Chem. Theor. Comp. 16(3), 1768-1778 (2020)
  19. <DOI> Fernando Steffler, Guilherme F. De Lima, Hélio Anderson Duarte;"The effect of the heteroatom (X=P,As,Si and Ge) on the geometrical and electronic properties of a-Keggin polyoxometalates (M=Mo, W and Nb) - A DFT investigation", J. Mol. Struct. 1213, 128159 (2020)
    20. 2019
  20. <DOI> Hélio Anderson Duarte; " Ferro - Um elemento Quimico Estrategico que permeia historia, economia e sociedade", Quimica Nova, 42, 1146-1153, (2019).
  21. <DOI> Antonio Lenito Soares Jr., Walber G. Guimaraes Jr., Hélio Anderson Duarte, Heitor Avelino De Abreu; " Determination of an adequate bornite model for computational simulations - Cu5FeS4 or Cu8Fe4S8 ", J. Mol. Struct., 1184, 72-76, (2019).
  22. <DOI> Alexandre C. Bertoli, Matheus C. Quintao, Heitor A. De Abreu, Ana Claudia Q. Ladeira, Hélio Anderson Duarte; "Uranium separation from acid mine drainage using anionic resins - An experimental/theoretical investigation of its chemical speciation and the interaction mechanism", J. Env. Chem. Eng., 7, 102790-8 (2019).
  23. <DOI> Amanda M. de P. Santos, Alexandre C. Bertoli, Hélio A. Duarte, Jerusa S. Garcia, Marcello G. Trevisan; "The stability and mechanism of cerium complexation with humic substances from pooultry manure - A combined experimental/theoretical approach", J. Mol. Struct., 1178, 290-297 (2019).
  24. <DOI> Luciana B. P. Samia, Gabrieli L. Parrilha, Alexandre C. Bertoli, Hélio A. Duarte, Nivaldo L. Speziali, Sarah F. Teixeira, Barbara Kawamura, Adilson K. Ferreira, Heloisa Beraldo; "Investigation on the cytotoxic effects of nitrogen-mustard-derived Schiff bases. Studies on the reactivity of the N-mustard pharmacophoric group", J. Mol. Struct., 1178, 274-284(2019).
    25. 2018
  25. <DOI> Guilherme Ferreira de Lima, Hélio Anderson Duarte, Lars G. L. Pettersson; "X-ray Absorption Spectroscopy Calculations on Pristine and Modified Chalcopyrite Surfaces", J. Phys. Chem. C, 122, 20200-20209 (2018).
  26. <DOI> Paulo Roberto Garcês Junior, Heitor Avelino de Abreu, Hélio Anderson Duarte; "Stability, structural and electronic properties of hausmannite (Mn3O4) surfaces and their interaction with water", J. Phys. Chem. C, 122, 20841-20849 (2018).
  27. <DOI> Mirele B. Pinto, Antonio L. Soares Jr., Matheus C. Quintao, Helio A. Duarte, Heitor A. De Abreu; "Unveiling the structural and electronic properties of the B-Nb2O5 surfaces and their interaction with H2O and H2O2", J. Phys. Chem. C, 122(12), 6618-6628 (2018).
  28. <DOI> Elene C. Pereira-Maia, Ivina P. Souza, Kelen J. R. C. Nunes, Alexandre A. Castro, Teodorico C. Ramalho, Fernando Steffler, Helio A. Duarte, Ana Pacheli, Poliana Chagas, Luiz C. A. Oliveira; "Peroxoniobium inhibits leukemia cell growth", RSC Adv., 8, 10310-10313 (2018).
  29. <DOI> Juliana C. M. Silva, Egon C. Dos Santos, Aline de Oliveira, Thomas Heine, Heitor A. De Abreu, Helio A. Duarte; "Adsorption of water, sulfates and chloride on arsenopyrite surface.", Appl. Surf. Sci., 434, 389-399 (2018). (For a free copy < Click here >)
    30. 2017
  30. <DOI> Chang Liu, Maicon P. Lourenco, Filippo Cavalca, Oscar Diaz-Morales, Helio A. Duarte, Anders Nilsson, Lars G. M. Pettersson; "Stability and effects of subsurface oxygen in oxide-derived Cu catalyst for CO2 reduction", J. Phys. Chem. C, 121 (45), 25010-25017 (2017).
  31. <DOI> Juliana C. M. Silva, Egon C. Dos Santos, Heitor A. De Abreu, Thomas Heine, Helio A. Duarte; "Oxidation Mechanism of ARsenopyrite in the presence of water.", J. Phys. Chem. C, 121 (48), 26887-26894 (2017).
  32. <DOI> Egon C. Dos Santos, Maicon P. Lourenco, Lars G. M. Pettersson, Helio A. Duarte; "Stability, structure, and electronic properties of the pyrite/arsenopyrite solid-solid interface - A DFT study.", J. Phys. Chem. C, 121 (14), 8042-8051 (2017). ( It is Open Access! )
  33. <DOI> Mirele B. Pinto, Antonio Soares Jr., Andy M. Orellana, Helio A. Duarte, Heitor A. De Abreu; "Structural, Electronic and thermodynamic properties of the T and B phases of Niobia - First: Principles Calculations", J. Phys. Chem. A, 121(12), 2399-2409 (2017).
  34. <DOI> Antonio L. Soares Jr., Egon C. Dos Santos, Angel Morales-Garcia, Thomas Heine, Heitor A. De Abreu, Helio A. Duarte; "Two-dimensional crystal CuS - Electronic and structural properties", 2D Materials, 41(1), 0150041 (2017).
  35. <DOI> Fernando Steffler, Guilherme F. de Lima, Helio A. Duarte; "Polyoxomolybdates formation - A thermodynamic analysis from Density Functional/PCM calculations", Chem. Phys. Lett., 669, 104-109 (2017).
  36. <DOI> Morales-Garcia, A.; Junjie, H.; Soares Jr., A.; Duarte, H. A.; "Surfaces and Morphologies of Covellite (CuS) Nanoparticles by means of ab initio atomistic thermodynamics", Cryst. Eng. Comm., In Press.
  37. <DOI> Clayton Souza, Rafaela Silva, Philipe Fernandes, Jose D. Souza Filho, Helio A. Duarte, Maria Helena Araujo, Carlos Simone, Solange de Castro, Rubem F. S. Menna-Barreto, Cynthia Demicheli, Eufranio N. da Silva Jr.; "Cyclometalated ruthenium complexes from naturally occurring quinones: Studies on their photphysical features, computational details and trypanocidal activity", New J. Chem.; 41, 3723-3731 (2017).
  38. <DOI> Fabiola S. dos Santos, Geliston G. Dias, Rossimiriam P. de Freitas, Lucas S. Santos, Guilherme F. de Lima, Helio A. Duarte, Carlos A. de Simone, Lidia M. S. L. Rezende, Monique J. X. Vianna, Jose R. Correa, Brenno A. D. Neto, Eufranio N. da Silva Jr.; "Redox Center Modification of Lapachones Toward the Syntheses of Nitrogenated Heteroxycles as Selective Fluorescent Mitochondrial Imaging Probes", Eur. J. Org. Chem.; 26,3763-3773 (2017).
  39. <DOI> J. Mendes, K. J. de Almeida, J. L. Neto, T. C. Ramalho, H. A. Duarte; "Theoretical spectroscopic insights of tautomers and enantiomers of penicillamine", Spectrochim. Acta A: Mol. Biomol. Spectr.; 184,308-317 (2017).
  40. <DOI> Lenka V. Tamayo, Jeferson G. Da Silva, Matheus C. Quintao, Helio A. Duarte, Sonia R. W. Louro, Heloisa Beraldo; "Investigation on the physicochemical properties of trans-4-stilbenecarboxaldehyde-derived hydrazones and their copper(II) complexes", Polyhedron; 134,199-206 (2017).
    41. 2016
  41. <DOI> Maicon P. Lourenco, Mauricio C. da Silva, Augusto F. Oliveira, Matheus C. Quintao, Helio A. Duarte; "FASP: a framework for automation of Slater-Koster file parameterization", Theoretical Chemistry Accounts, 135:250 (2016).
  42. <DOI> Gleiston G. Dias, Pamella V. B. Pinho, Helio A. Duarte, Jarbas M. Resende, Andressa B. B. Rosa, Jose R. Correa, Brenno A. D. Neto, Eufranio N. Da Silva Junior; "Fluorescent Oxazoles from Quinones for Bioimaging Applications", RSC Advances, 6, 76056-76063 (2016).
  43. <DOI> Antonio L. Soares Jr., Egon C. Dos Santos, Angel Morales-Garcia, Helio A. Duarte, Heitor A. De Abreu; "The Stability and Structural, Electronic and Topological Properties of Covellite (001) Surfaces", Chemistry Select, 1,2730 (2016).
  44. <DOI> Egon Campos dos Santos, Juliana Cecilia de Mendonca Silva, Helio A. Duarte; "Pyrite Oxidation Mechanism by Oxygen in Aqueous Medium", J. Phys. Chem. C , 120, 2760-2768, (2016). ( It is Open Access! ).
  45. <DOI> Sebastian Amaya-Roncancio, Daniel H. Linares, Helio A. Duarte, Karim Sapag; "DFT Study of Hydrogen-Assisted Dissociation of CO by HCO, COH and HCOH Formation on Fe(100)", J. Phys. Chem. C,120(20), 10830-10837 (2016).
  46. <DOI> Katia J. De Almeida, Telles. C. Silva, Jonas L. Neto, M. V. J. Rocha, Teodorico C. Ramalho, M. N. De Miranda, Helio A. Duarte; "Methane C-H Bond Activation by Niobium Oxides: Theoretical Analyses of the Bonding and Reactivity Properties of NbOm(n+) (m=1,2; n=0,1,2)", J. Org. Chem., 802, 49-59 (2016).
    47. 2015
  47. <DOI> Mauricio C. Da Silva, Egon C. Dos Santos, Maicon P. Lourenco, Mateus P. Gouvea, Helio A. Duarte; "Structural, electronic and mechanical properties of inner surface modified imogolite", Frontiers in Materials - Computational Materials Science, 2, 16 (2015).
  48. <DOI> Juliana C. de M. Silva, Heitor A. De Abreu, Helio A. Duarte; "Electronic and structural properties of arsenopyrite bulk and its cleavaga surfaces - A DFT study", RSC Advances, 5, 2013-2023 (2015).
  49. <DOI> Sebastien Amaya-Roncancio, D. H. Linares, H. A. Duarte, G. Lener, K. Sapag; "Effect of Hydrogen in Adsorption and Direct Dissociation of CO on Fe (100) Surface: A DFT Study", Am. J. Anal. Chem., 6, 38-46 (2015).
    50. 2014
  50. <DOI> Claudio de Oliveira, Heitor A. De Abreu, Dennis R. Salahub, HéHelio A. Duarte; "Native Defects in a-Mo2C: Insights from First-Principles Calculations, J. Phys. Chem. C, 118 (44), 255517-25524 (2014).
  51. <DOI> Maicon P. Lourenco, Luciana Guimaraes, Mauricio C. Da Silva, Claudio de Oliveira, Thomas Heine, Helio A. Duarte; "Nanotubes with well-defined structure: single- and double-walled imogolites", J. Phys. Chem. C, 118 (11), 5945-5953 (2014). For a reprint click <here> ( It is Open Access! )
  52. <DOI> Angel Morales Garcia, Antoino L. Soares, Egon C. Dos Santos, Heitor A. De Abreu, Helio A. Duarte; "First-principles calculations and electron density topological analysis of covellite (CuS)", J. Phys. Chem. A, 18(31), 5823-5831 (2014). For a reprint click <here> ( It is Open Access! )
  53. <DOI> Lucas M. Arantes, Eduardo V. V. Varejão, Karin J. Pelizzaro-Rocha, Cintia M. S. Cereda, Energida de Paula, Maicon P. Lourenco, Helio A. Duarte, Sergio A. Fernandes "Benzocaine Complexation with p-Sulfonic Acid Calix[n] arene: Experimental (1H-NMR) and Theoretical Approaches", Chem. Biol. Drug. Des., 83, 550-559 (2014).
    54. 2013
  54. <DOI> Helio A. Duarte, Nina Vankova, Isabella Pires Ferreira, Eucler B. Paniago, Thomas Heine; "Chemical Speciation of Metal Complexes from Chemical Shift Calculations: The Interaction of 2-Amino-N-Hydroxypropanamide with V(V) in Aqueous Solution", J. Phys. Chem. B, 117 (39), 11670-11680 (2013).
  55. <DOI> Guilherme F. de Lima, Andreas Myrandonakis, Heitor A. de abreu, Helio A. Duarte, Thomas Heine; "The mechanism of alcohol-water separation in metal-organic frameworks", J. Phys. Chem. C, 15(12), 4124-4130 (2013).
  56. <DOI> Katia Julia de Almeida, Theo C. Ramalho, Jonas L. Neto, R. T. Santiago, V. C. Felicissimo, Helio A. Duarte, "Methane Dehydrogentation by Niobium Ions: A First-Principle Study of The Gas-Phase Catalytic Reactions", Organometallics, 32(4), 989-999 (2013).
  57. <DOI> Luciana Guimaraes, Yuri Pinto Nunes, Maicon Pierre Lourenco, Helio A. Duarte, "Imogolite-like Nanotubes: Structure, Stability, Electronic and Mechanical Properties of the Phosphorous and Arsenic Derivatives", Phys. Chem. Chem. Phys, 15(12),4303-4309 (2013).
  58. <DOI> Mauricio C. Da Silva, Maicon P. Lourenco, Egon C. Dos Santos, Helio A. Duarte, "Structural, mechanical and electronic properties of nano-fibriform silica and its organic funcitonalization by dimethyl silane: a SCC-DFTB approach", J. Mol. Model., 19(5), 1995-2005 (2013).
    59. 2012
  59. <DOI> Djalma M. de Oliveira, Wagner da N. Mussel; Lucienir P. Duarte; Gracia D. de F. Silva; Helio A. Duarte; EHelionai C. de L. Gomes; Luciana Guimaraes; Sidney A.Vieira Filho, "Combined experimental powder X-ray diffraction and DFT data to obtain the lowest energy molecular conformation of friedelin", Quim. Nova, 35 (10), 1916-1921 (2012).
  60. <DOI> Maicon P. Lourenco, claudio de Oliveira, Augusto F. Oliveira, Luciana Guimaraes, Helio A. Duarte, "Structural, Electronic and Mechanical Properties of Single-Walled Chrysotile nanotube Models", J. Phys. Chem. C., 116 (17), 9405-9411 (2012).
  61. <DOI> Guilherme F. De Lima, Claudio de Oliveira, Heitor A. De Abreu, Helio A. Duarte, "Sulfuric and hydrochloric acid adsorption on the reconstructured sulfur terminated (001) chalcopyrite surface", Intern. J. Quant. Chem.; 112, 3216-3222, (2012).
  62. <DOI> Claudio de Oliveira, Guilherme F. De Lima, Heitor A. De Abreu, Helio A. Duarte; "Reconstruction of the Chalcopyrite Surfaces - A DFT Study", J. Phys. Chem. C, 116, 6357-6366 (2012).
  63. <DOI> Graziela Duarte, Virginia S. T. Ciminelli, Maria S. S. Dantas, Helio A. Duarte, Augusto F. Oliveira, Igor F. Vasconcelos, and Kwadwo O. Asare, "As(III) immobilization on gibbsite: evidences of the mechanism by combining EXAFS and theoretical calculaiton" Geochim. Cosmochim. Acta, 83, 205-216 (2012).
  64. <DOI> Ivana L. Silva, Frederico B. De Sousa, Angelo M. L. Denadai, Gulherme F. De Lima, Helio A. Duarte, Thiago R. Mares Guia, Adelaide Faljoni-Alario, Marcelo M. Santoro, Antonio Carlos M. De Camargo, Robson A. S. Dos Santos, Ruben Dario Sinisterra; "Interaction Between Bradykinin Potentiating Nonapeptide 9BPP9a) and b-cyclodextrin: A structural and Theormodynamic Study." Materials Science and Engineering C. 32(2), 244-253 (2012).
    65. 2011
  65. <DOI> Guilherme Ferreira de Lima, Josefredo R. Pliego, Jr., Helio A. Duarte, "Stability of hydroxylamine isomers in aqueous solution: ab initio study using continuum, cluster-continuum and shells theory of solvation", Chem. Phys. Lett., 518, 61-64, (2011).
  66. <DOI> Andreza A. Ribeiro, Diana Q. Lima, Helio A. Duarte, Ever Murad, Marcio C. Pereira, Marcos T. D. F. Suita, Jose D. Ardissom, Jose D. Fabris, "Structural characteristics of chalcopyrite from a Cu(Au) ore deposit in the Carajas Mineral Province, Brazil", Hyperfine Interactions, 203 (1-3), 47-50 (2011).
  67. <DOI> Guilherme F. De Lima, Claudio De Oliveira, Heitor A. De Abreu, Helio A. Duarte , "Water adsorption on the (001) reconstructed chalcopyrite surfaces", J. Phys. Chem. C., 115 (7-8), 10709-10717, (2011).
  68. <DOI> Guilherme dos S. Rodrigues, Ivan da S. Cunha, Guilherme G. Silva, Antonio L. O. de Noronha, Heitor A. de Abreu , Helio A. Duarte, "DFT Study of Vanadyl (IV) Complexes with Low Molecular Mass Ligands: Picolinate, Oxalate, Malonate, Maltolate", Inter. J. Quant. Chem., 111 (7-8), 1395-1402, (2011).
    69. 2010
  69. <DOI> Guilherme Ferreira de Lima, Helio A. Duarte, Josefredo R. Pliego Jr.; "Dynamical Discrete/Continuum Linear Response Shells Theorey of Solvation: Convergence Test for NH4+ and OH- Ions in Water Solution Using DFT and DFTB Methods", J. Phys. Chem. B, 114, 15941-15947 (2010).
  70. <DOI> Claudio de Oliveira, Helio A. Duarte; "Disulphide and Metal Sulphide Formation on the Reconstructed (001) Surface of Chalcopyrite: A DFT Study.", Appl. Surf. Sci., 257 (4), 1319-1324 (2010).
  71. <DOI> Katia Julia de Almeida, Helio A. Duarte; "Dehydrogenation of Methane by Gas-Phase Th, Th+ and Th2+: Theoretical Insights into Actinide Chemistry.", Organometallics, 29 (17), 3735-3745, 2010.
  72. <DOI> Luciana Guimaraes, Andrey N. Enyashin, Gotthard Seifert, Helio A. Duarte, "Structural, Electronic and Mechanical Properties of Single-Walled Halloysite Nanotube Models", J. Phys. Chem. C, 114 (26), 11358-11363 (2010).
  73. <DOI> Regina Luschtinetz, Augusto F. Oliveira, Helio A. Duarte, Gotthard Seiferd, "Self-assemble monolayers of alkylphosphonic acids on aluminum oxide surfaces - A theoretical study", Zeitschrift fur anorganische und allgemeine Chemie (ZAAC), 636(8), 1506-1512, 2010.
  74. <DOI> Guilherme Ferreira de Lima, Thomas Heine, Helio A. Duarte, "Molecular dynamics of polypeptides and their inclusion compounds with b-cyclodextrin in aqueous solution using DC-SCC-DFTB/UFF approach" in Adv. Quant. Chem. - Combining Quantum Mechanics and Molecular Mechanics. Some Recent Progresses in QM/MM Methods (Ed. Sylvio Canuto), 59, 143-178, (2010).
    75. 2009
  75. <DOI> Review Paper: Augusto Faria Oliveira, Thomas Heine, Gotthard Seifert, Helio A. Duarte, "Density-Functional Tight Binding: An Approximate DFT Method", J. Braz. Chem.Soc., 20(7), 1193-1205 (2009).
  76. <DOI>Djalma M. Oliveira, Gracia D. F. Silva, Lucienir P. Duarte, Sidney A. Vieira Filho, Luciana Guimaraes, Helio A. Duarte and Edward de Souza," Conformational study of 3b,16b-dihydroxyfriedelane by NMR and ab initio calculations", Struct. Chem., 20, 1005-1011 (2009).
  77. <DOI> Katia J. De Almeida, Helio A. Duarte, "Gas-Phase Methane Activation by the Ac+ -- Pu+ Ions: Theoretical Insights into the Role of 5f-electrons/-Orbitals in the early actinide chemistry", Organometallics, 28(11), 3203-3211 (2009)
  78. <DOI> Ligia M. M. Vieira, Heitor A. de Abreu, Helio A. Duarte, Richard M. Grazul, Mauro V. de Almeida, Ana Paula S. Fontes, "Platinum (II) complexes with fluoroquinolones: synthesis and characterization of unusual metal-piperazine chelates.", Inorganic Chimica Acta,362(6),2060-2064 (2009).
    79. 2008
  79. <DOI>Ilza Dalmazio, Flavia C. C. Moura, Maria Helena de Araujo, Tania M. A. Alves, Rochel M. Lago, Guilherme F. de Lima, Helio A. Duarte, Rodinei Augusti, "The iodide-catalyzed decomposition of hydrogen peroxide: mechanistic details of an old reaction as revealed by electrospray ionization mass spectrometry monitoring", J. Braz. Chem. Soc., 19(6), 1105-1110 (2008).
  80. <DOI>Agnieszka Kuc, Thomas Heine, Gotthard Seifert, Helio A. Duarte, "H2 Adsorption in Metal-Organic Frameworks: Dispersion or electrostatic interactions?",Chemistry - A European Journal, 14(22), 6597-6600 (2008).
  81. <DOI>Heitor A. De Abreu, Izandina A. dos S. Lago, Gilmar P. Souza, Dorila Pilo-Veloso, Helio A. Duarte, Antonio Flavio de C. Alcantara, "Antioxidant Activity of Bergenin - A Phytoconstituent Isolated from Bark of Sacoclottis uchi Huber (Humireaceae)", Organic and Biomolecular Chemistry, 6, 2713-2718 (2008).
  82. <DOI>Heitor A. De Abreu, Luciana Guimaraes, Helio A. Duarte, "DFT/PCM Investigation of the Mn(II) Chemical Speciation in Aqueous Solution", IJQC, 108, 2467-2475 (2008).
  83. <DOI>Domingos D. C. Rodrigues, Augusto M. Nascimento, Helio A. Duarte, Jadson C. Belchior; "Global optimization analysis of CunAum (n + m = 38) clusters: complementary Ab Initio calculations.", Chem. Phys. 349, 91-97 (2008).
  84. <DOI> Agnieszka Kuc, Thomas Heine, Helio A. Duarte, Gotthard Seifert, "On the nature of the interaction between H2 and Metal-Organic Frameworks", Theor. Chem. Acc., 120 (4-6), 543-550 (2008).
  85. <DOI> Regina Luschtinetz, Augusto F. Oliveira, Johannes Frenzel, Jan-Ole Joswig, Gotthard Seifert, Helio A. Duarte, "Adsorption of phosphonic and ethylphosphonic acid on aluminum surfaces - A theoretical study", Surface Science, 2008, 602, 1347-1359, 2008.
    86. 2007
  86. <DOI> Luciana Guimaraes, Andrey N. Enyashin, Johhanes Frenzel, Thomas Heine, Helio A. Duarte, Gotthard Seifert, "Imogolite nanotubes: stability, electronic and mechanical properties", ACS Nano, 2007, 1, 362-368, 2007.
  87. <DOI>Ivana Lula, Angelo L. Denadai, Jarbas M. Resende, Frederico B. de Sousa, Guilherme F. De Lima, Dorila Pilo-Veloso, Thomas Heine, Helio A. Duarte, Robson A. S. Santos, Ruben D. Sinisterra, "Study of Angiotensin-(1-7) vasoactive peptide and its b-cyclodextrin inclusion complexes: Complete sequence specific NMR assignments and structural studies.", Peptides, 28, 2199-2210, 2007.
  88. <DOI>Guilherme F. Lima, Thomas Heine, Helio A. Duarte, "Structure and dynamics of Angiotensin (1-7) vasoactive peptide in aqueous solution at the density-functional based tight-binding level.", Macromolecular Symposia - Reactive Polymers in Inhomogeneous Systems, in Melts, and at Interfaces, 254, 80-86, 2007.
  89. <DOI>Monica C. Teixeira; Virginia S. T. Ciminelli; Maria Sylvia S. Dantas; Sirlaine F. Diniz; Helio A. Duarte. "Raman Spectroscopy and DFT calculations of As (III) Complexation with a Cysteine-rich biomaterial.", Journal of Colloid and Interface Science, 315, 128-134, 2007.
  90. <DOI>Antonio Luiz Oliveira de Noronha, Luciana Guimaraes, Helio Anderson Duarte, "Structural and thermodynamical analysis of the first mononuclear aqueous aluminum citrate complex using DFT calculations", Journal of Chemical Theory and Computation. 3, 930-937 (2007).
  91. <DOI>Thomas Heine, Helio F. Dos Santos, Serguei Patchkovskii, Helio A. Duarte, "Structure and dynamics of b-cyclodextrin in aqueous solution at quantum-mechanical level.", J. Phys. Chem. A, 111, 5648-5656, 2007.
  92. <DOI>Luciana Guimaraes, Heitor A. de Abreu, Helio A. Duarte, "Fe(II) hydrolysis in aqueous solution: A DFT Study.", Chem. Phys., 333, 10-17 (2007).
    93. 2006
  93. <DOI>Gilmar P. Souza, Cibele Konzen, Jose D. Ardisson, Waldemar A. A. Macedo, Heitor A. De Abreu, Helio A. Duarte, Antonio F. C. Alcantara, Wallace C. Nunes, Waldemar A. A. Macedo, Marcelo Knobel and Humberto O. Stumpf. "Synthesis and Density Functional Calculations of the New Molecule-Based Magnet Precursor [Fe(H2opba-i)(dmso)2]Cl", J. Braz. Chem. Soc.,17(8), 1534-1539 (2006).
  94. <DOI>Ivana Lula, Maria F. Gomes, Dorila Pilo-Veloso, Antonio L. O. de Noronha, Helio A. Duarte, Robson A. S. Santos, Ruben D. Sinisterra. Spironolactone and its complexes with b-cyclodextrin: Modern NMR characterization and Structural DFTB-SCC calculations, Journal of Inclusion Phenomena and Macrocyclic Chemistry, 56, 293-302, (2006).
  95. <DOI>Heitor A. De Abreu, Luciana Guimaraes, Helio A. Duarte. "DFT Study of Iron(III) hydrolysis in aqueous solution", J. Phys. Chem. A, 110 (25), 7713-7718, 2006.
  96. <DOI>Juliana Fedoce Lopes, Victor Stroele de A. Menezes, Helio A. Duarte, Willian R. Rocha, Wagner B. De Almeida, Helio F. Dos Santos. "Monte Carlo Simulation of cisplatin Molecule in Aqueous Solution, J. Phys. Chem B, 110, 12047-12054, 2006.
  97. <DOI>Elcio Sabato de Abreu e Silva, Helio Anderson Duarte and Jadson Claudio Belchior. "An approach based on genetic algorithms and DFT for studying clusters: (H2O)n (2 n 13) cluster analysis". Chemical Physics, 323,553-562 (2006).
  98. <DOI>Heitor A. De Abreu, Wagner B. De Almeida, Helio A. Duarte, Gerd Fisher, Thomas Heine, Gabriel Merino, Gotthard Seifert. "Theoretical Study of the Propagation Barrier of Ethylene Polymerization with TiR2 (R = OCH3 or CN): The Importance of the b-Agostic Interactions", Journal of Molecular Structure (Theochem), 762, 9-15 (2006).
  99. <DOI>Augusto F. Oliveira, Ana Claudia Q. Ladeira, Virginia S. T. Ciminelli, Thomas Heine, Helio A. Duarte. "Structural Model Of Arsenic(III) Adsorbed On Gibbsite Based On DFT Calculations", Journal of Molecular Structure (Theochem), 762, 17-23 (2006).
    100. 2005
  100. <DOI>Lyuben Zhechkov, Thomas Heine, Serguei Patchkovskii, Gotthard Seifert, Helio A. Duarte. "An efficient a posteriori treatment for dispersion interaction in Density Functional Based Tight Binding.", Journal of Chemical Theory and Computation, 1, 841-847 (2005).
  101. <DOI>Antonio L. O. de Noronha, Helio A. Duarte, "DFT Study of the V(IV)/V(V) oxidation mechanism in the presence of N-hydroxyacetamide", Journal of Inorganic Biochemistry, 99, 1708-1716 (2005).
  102. <DOI>J. Frenzel, A. F. Oliveira, H. A. Duarte, T. Heine, G. Seifert. "Structural and electronic Properties of Bulk Gibbsite and Gibbsite Surfaces", Zeitschrift fur anorganische und allgemeine Chemie (ZAAC), 631(6-7),1267-1271 (2005).
  103. <DOI>H. A. Duarte, T. Heine, G. Seifert. 'DFTxTB - A unified quantum-mechanical hybrid method', Theoretical Chemistry Accounts, 114, 68-75 (2005).
  104. <DOI>Helena Duani, Helio A. Duarte. 'Interaction of -CClx (x=1-3) with Ru2 and RuSn dimers: A Density Functional Study', Chemical Physics, 309/1, 15-22, 2005. Special issue: Electronic Structure Calculations for Understanding Surfaces and Molecules. In Honor of Notker Roesch - Edited by S.B. Trickey, S. Gemming and E.J. Baerends.
    105. 2004
  105. <DOI>Sibylle Gemming, Michael Schreiber, Werner Thiel, Thomas Heine, Gotthard Seifert, Heitor A. de Abreu, Helio A. Duarte. "Tunable Discotic Building Blocks for Liquid Crystalline displays", J. of Luminesc., 108, 143-147 (2004).
  106. <DOI>Luciana M. A. Pinto, Marcelo B. de Jesus, Eneida de Paula, Antonio C. S. Lino, Joel B. Aderete, Helio A. Duarte,Yuji Takahata. "Elucidation of Inclusion compounds between b-cyclodextrin/local anesthetics structure: a theoretical and experimental study using differential scanning calorimetry and molecular mechanics.", J. Molec. Struct. - Theochem,678, 63-66 (2004).
  107. <DOI>Heitor A. De Abreu, Wagner B. De Almeida, Helio A. Duarte. pKa calculation of poliprotic acid: Histamine", Chem. Phys. Lett., 382(1-2), 47-52 (2004).
    108. 2003
  108. <DOI>Alicja Haras, Morgata Witko, Dennis R. Salahub, Helio A. Duarte. "Chemical Nature of Point Defects at the (VO)2P2O7 (100) surface", Surf. Sci., 538, 160-170 (2003).
  109. <DOI>Jaimara A. Oliveira, Wagner B. De Almeida, Helio A. Duarte, "Density Functional Study of the MoxOy and MoxOy+ (x=1-3,y=1-9) oxide clusters", Chem. Phys. Lett., 372 (5-6), 650-658 (2003).
  110. Helio A. Duarte, "Carga Nuclear Efetiva e sua consequencia para a compreensao da estrutura eletronica dos atomos", Quimica Nova Na Escola, 17, 22-26 (2003).
  111. <DOI>Jose Mauro da Silva Santos, Sandra Carvalho, Eucler B. Paniago, Helio A. Duarte "Potentiometric, Spectrophotometric and Density Functional Study of the Interaction of N-Hydroxyacetamide With Oxovanadium (IV): The Influence of Ligand to the V(IV)/V(V) Oxi-Reduction Reaction", J. Inorg. Biochem., 95, 14-23 (2003).
  112. <DOI>Helio A. Duarte, Helena Duani, Wagner B. De Almeida. "Ab Initio Correlated Comparative Study Of The Torsional Potentials For 2,2'-Bipyrrole, And 2,2'- Bifuran Five Membered Heterocyclic Dimers", Chem. Phys. Lett., 369(1-2), 114-124 (2003).
  113. <DOI>Helena Duani, Wagner B. De Almeida and Helio A. Duarte. "An Investigation of the Quality of Standard Sulfur Basis Sets for Molecules using a new Generator Coordinate Method Approach: Application to 2,2'-Bithiophene, Int. J. Quantum Chem., 95(2), 194-204 (2003).
  114. <DOI>Eder S. Xavier and Helio A. Duarte. "Interaction of M-Sn (M=Ru, Rh, Pd) dimers with CH2 and CF2. A Density Functional Study.", Int. J. Quantum Chem., 95, 164-176 (2003).
    115. 2002
  115. <DOI>Alicja Haras, Helio A. Duarte, Dennis R. Salahub, Morgata Witko. "Changes of Local Electronic Structure of Perfect (VO)2P2O7 (100) Surface in Response to Oxygen Vacancy Formation: Effect of electron Trapping". Surf. Sci., 513 (3-4) 367-380 (2002).
  116. <DOI>Ilza Dalmazio and Helio A. Duarte. "Density Functional Study of the First-Row Transition-Metal Complexes M-CH2, M-CHF and M-CF2.", J. Chem. Phys., 115 (4), 1747-1756 (2001).
    117. 2001
  117. <DOI>Ana Claudia Q. Ladeira, Virginia S. T. Ciminelli, Helio A. Duarte, Maria C. M. Alves, A. Y. Ramos. "Mechanism of Anion Retention From EXAFS and Density Functional Calculations: Arsenic(V) Adsorbed On Gibbsite.", Geochimica et Cosmochimica Acta, 65,1211-1217 (2001)
  118. <DOI>Helio A. Duarte. "Indices De Reatividade Quimica A Partir Da Teoria Do Funcional De Densidade: Formalismo e Perspectivas.", Quim. Nova, 24 (4), 501-508, (2001).
  119. <download>Helio A.Duarte. "Ligacoes Quimicas: Ionica, Covalente e Metalica", Quim. Nova na Escola (Cadernos Tematicos: Estrutura da Materia: Uma Visao Molecular), 4, 14-23 (2001).
    120. 2000
  120. <DOI>T. L. Haslett, S. Fedrigo, K. A. Bosnick, K. D. Bier, and M. Moskovits, H. A. Duarte, D. R. Salahub, "Binary Iron-Dinitrogen Compounds Synthesized by Co-Deposition of Mass-Selected Fe, Fe2, and Fe3 with N2.", J. Am. Chem. Soc., 122, 6039-6044 (2000).
  121. <DOI>Marcos A. Oliveira, Jean-Michel Pernaut, Helio A. Duarte, Wagner B. De Almeida, "Energy Gaps of a, a'- Substituted Oligothiophene from Semiempirical, Ab initio and Density Functional Methods", J. Phys. Chem. A. 104(35), 8256-8262 (2000).
  122. <DOI>H. A. Duarte, Helio F. Dos Santos, Willian R. Rocha, Wagner B. De Almeida,"Improved Quantum Mechanical Study of the Potential Energy Surface for the Bithiophene Molecule", J. Chem. Phys. 113(10), 4206-4215, (2000).
  123. <DOI>Helio F. Dos Santos, H. A. Duarte, Ruben D. Sinisterra, Silvania V. De Melo Mattos, Luiz Fernando C. De Oliveira and Wagner B. De Almeida, Quantum Mechanical Study Of The Interaction Of a-Cyclodextrin With Methyl Mercury Chloride, Chem. Phys. Lett, 319 (5-6) 569-575 (2000).
    124. 1999
  124. <DOI>F. C. S. de Paula, S. Carvalho, H. A. Duarte, E. B. Paniago, A. S. Mangrich, E. C. Pereira-Maia, "A Physicochemical Study of the Tetracycline Coordination to Oxovanadium(IV).", J. Inorg. Biochem., 76(3-4) 221-230 (1999).
  125. <DOI>H. A. Duarte, D. R. Salahub, T. Haslett and M. Moskovits; "Fe(N2)n (n=1-5): Structure, bonding and Vibrations from Density Functional Theory", Inorg. Chem. , 38(17), 3895-3903 (1999).
  126. <DOI>H. A. Duarte e D. R. Salahub, "NO Adsorption on Pd(111) Surface. A Cluster-Model Approach", Topics in Catalysis, 9(3-4), 123-133 (1999).
  127. <DOI>H. A. Duarte, S. Carvalho, E. B. Paniago e A. M. Simas; "Importance of tautomers in the Chemical Behavior of Tetracyclines"; J. Pharm. Sci.; 88(1), 111-120 (1999).
    128. 1998
  128. <DOI>H. A. Duarte, S. de Carvalho, E. B. Paniago and W. B. de Almeida; "Interaction of N-hydroxyacetamide with Vanadate. A Density Functional Study"; J. Inorg. Biochem.; 72(1-2), 71-77 (1998).
  129. <DOI>H. A. Duarte, E. Proynov e D. R. Salahub; "Density Functional Study of the NO Dimer Using GGA and LAP Functionals"; J. Chem. Phys.. ; 109(1), 26-35 (1998).
  130. <DOI>H. A. Duarte, D. R. Salahub; "Embedded Cluster Model for Chemisorption Using Density Functional Calculations: Oxygen Adsorption On the Al(100) Surface"; J. Chem. Phys., 108, 743-756 (1998).
    131. 1997
  131. <DOI>H. A. Duarte; D. R. Salahub; "NiNO, Ni2NO and Ni2(NO)2 Interactions. A Density Functional Study"; J. Phys. Chem.; J. Phys. Chem. B, 101, 7464-7471, (1997).
    132. 1994
  132. <DOI>C. Blanchet; H. A. Duarte; D. R. Salahub; "Density Functional Study of Mononitrosyls of the First-Row Transition-Metal Atoms", J. Chem. Phys. 106(21) , 8778-8787 (1997).
  133. <download>H. A. Duarte; F. F. Campos, filho e E. B. Paniago; "SCECS - Sistema Computacional para Calculo e exibicao Grafica de complexos em solucao"; Quimica Nova; 17(5); 397-404 (1994).
Trabalhos Completos em Eventos / Published Works in Proceedings
  1. Graziele Duarte, Virginia S. T. Ciminelli, Maria S. S. Dantas, Helio A. Duarte, Igor F. Vasconcelos, James D. Kubicki, Kwadwo Osseo-Asare, Juscimar Silva, Jaime W. V. Mello, and Massimo Gasparon. "As (III) Sorption on iron and aluminum oxy-hydroxides and the implications on arsenic mobility", Proceedings of the Third International Congress on Arsenic in the Environment, Tainan, Taiwan - May 2010. 2 pages.
  2. M. C. Teixeira, G. Duarte, M. S. S. Dantas, H. A. Duarte, V. S. T. Ciminelli, " Arsenic (III) Biosorption using Protein Rich Waste Material " in XIII International Conference on Heavy Metals in the Environment, 5 a 9 de junho de 2005, Rio de Janeiro-RJ, Forma de Publicacoes : Digital, 4 pages.
Livros e Capitulos de Livro Publicados / Published Books and Chapters of Book
  1. <DOI> Helio A. Duarte, Egon C. Dos Santos, Julian C. de M. Silva, Guilherme F. De Lima, Heitor A. De Abreu (2018). "Modeling the oxidation mechanism of pyrite and arsenopyrite - connection to acid rock drainage"; in Chemical Modeling: Specialist Periodical Reports (SPR); M. Springborg and J-O Joswig (Eds.), ISBN:, RSC Publishing, Vol 14, pp 163-194.
  2. <DOI> Helio A. Duarte (2016). "Molecular simulation of nanosized tubular clay mineral"; in Nanosized Clay Mineral Nanotubes:Developments in Clay Science; P. Yang, F. Bergaya, A. Thill (Eds.), ISBN:9780081002933, Elsevier Publishing, Vol 7, pp 331-359.
  3. <DOI> Luciana Guimaraes, Maicon P. Lourenco, Helio A. Duarte (2015). "Nanotubes with well-defined structure: imogolites"; in Chemmical Modeling: Specialist Periodical Reports (SPR),: M. Springborg and J-O Joswig (Eds.), ISBN:978-1-78262-115-7, RSC Publishing,V. 12, 151-183.
  4. <DOI> Guilherme F. de Lima, Heitor A. De Abreu, Helio A. Duarte (2013). "Surface reactivity of the sulfide minerals"; in Chemmical Modeling: Specialist Periodical Reports (SPR),: M. Springborg and J-O Joswig (Ed.), ISBN:978-1-84973-586-5, RSC Publishing,V. 10, 153-182.
  5. <DOI> Helio A. Duarte, Maicon P. Lourenco, Thomas Heine and Luciana Guimaraes (2012). Clay Mineral Nanotubes: Stability, Structure and Properties, Stoichiometry and Materials Science - When numbers matter, Dr. Alessio Innocenti (Ed.), ISBN: 978-953-51-0512-1, InTech, 22 pages. Baixar/Download
  6. Helio A. Duarte e Willian R. Rocha, "Teoria do Funcional de Densidade", in "Metodos de Quimica Teorica e Modelagem Molecular", Eds Nelson H. Morgon e Kaline Coutinho, Editora Livraria da Fisica, SP, ISBN 978-85-88325-87-6, 2007, pgs 73-111.
  7. Dario Windmoeller, Andrea H. Machado, Helio A. Duarte, JuHelio Cesar Dias Lopes, , Luiz Otavio F. Amaral, Nelson Goncalves Fernandes, "Quimica no Vestibular 2008", Editora UFMG, ISBN: 978-85-7041-741-1, Belo Horizonte, 2008.
  8. Dario Windmoeller, Andrea H. Machado, JuHelio Cesar Dias Lopes, Helio A. Duarte, Luiz Otavio F. Amaral, Welington F. de Magalhaes, Quimica no Verstibular 2007, Editora UFMG, ISBN: 978-85-7041-648-3, Belo Horizonte, 2007.
  9. Dario Windmoeller, Andrea H. Machado, JuHelio Cesar Dias Lopes, Helio A. Duarte, Luiz Otavio F. Amaral, Welington F. de Magalhaes, "Quimica no Verstibular 2006", Editora UFMG, ISBN: 85-7041-579-6, Belo Horizonte, 2006.
Divulgacao Cientifica/ Scientific dissemination
  1. <DOI> Hélio Anderson Duarte; " Ferro - Um elemento Quimico Estrategico que permeia historia, economia e sociedade", Quimica Nova, 42, 1146-1153, (2019).
  2. Helio A. Duarte, Adriana V. Rossi, Marcelo Giordan, Editorial de Caderno Tematico da Quimica Nova Na Escola Recursos Minerais, agua e Meio Ambiente , Eds. Helio A. Duarte, Adriana V. Rossi, Marcelo Giordan, SBQ, ISSN:0104-8899, Pag. 4 (2014). <Para baixar (download)>
  3. Helio A. Duarte, "Agua - Uma Visao Integrada", in Caderno Tematico da Quimica Nova Na Escola Recursos Minerais, Agua e Meio Ambiente , Eds. Helio A. Duarte, Adriana V. Rossi, Marcelo Giordan, SBQ, ISSN:0104-8899, Pag. 4 (2014). <Para baixar (download)>
  4. Ana C. Q. Ladeira, Eucler B. Paniago, Helio A. Duarte, Claudia L. Caldeira; "Especiacao Quimica e sua Importancia nos Processos de Extracao Mineral e de Remediacao Ambiental", in Caderno Tematico da Quimica Nova Na Escola Recursos Minerais, agua e Meio Ambiente , Eds. Helio A. Duarte, Adriana V. Rossi, Marcelo Giordan, SBQ, ISSN:0104-8899, Pag. 18 (2014). <Para baixar (download)>
  5. Jaime W. V. Mello, Helio A. Duarte, Ana Claudia Q. Ladeira; "Origem e Controle do Fenomeno Drenagem Acida de Mina", in Caderno Tematico da Quimica Nova Na Escola Recursos Minerais, Agua e Meio Ambiente , Eds. Helio A. Duarte, Adriana V. Rossi, Marcelo Giordan, SBQ, ISSN:0104-8899, Pag. 24 (2014). <Para baixar (download)>
  6. Angela M. Ferreira, Gabriela C. Silva, Helio A. Duarte, "Materiais Funcionais para a Protecao Ambiental", in Caderno Tematico da Quimica Nova Na Escola Recursos Minerais, Agua e Meio Ambiente , Eds. Helio A. Duarte, Adriana V. Rossi, Marcelo Giordan, SBQ, ISSN:0104-8899, Pag. 30 (2014). <Para baixar (download)>
  7. Virginia S. T. Ciminelli, Francisco A. R. Barbosa, Jose G. Tundisi, Helio A. Duarte, "Recursos Minerais, Agua e Biodiversidade", in Caderno Tematico da Quimica Nova Na Escola Recursos Minerais, Agua e Meio Ambiente , Eds. Helio A. Duarte, Adriana V. Rossi, Marcelo Giordan, SBQ, ISSN:0104-8899, Pag. 39 (2014). <Para baixar (download)>
  8. <download>Helio A.Duarte. "Ligacoes Quimicas: Ionica, Covalente e Metalica", Quim. Nova na Escola (Cadernos Tematicos: Estrutura da Materia: Uma Visao Molecular), 4, 14-23 (2001).
Tese/Thesis
    H. A. Duarte, Thesis, "The Nature of Metal-Adsorbate Interactions Revealed by Density Functional Calculations on Complexes and Clusters and by a New Embedded Cluster Approach.", Universite' de Montreal (1997). Copyright 1997. All rights reserved.