• Interactions of di-imine copper(II) complexes with albumin: competitive equilibria,promoted oxidative damage and DFT studiesM. A. A. Azzelini, M. P. Abbott, A. Machado, M. T. M. Machado, L. C. Garcia, G. F. Caramori, M. B. Gonçalves, H. M. Petrilli, and A. M. C. FerreiraJ. Braz. Chem. Soc., 21 (7), 1303-1317 (2010)  Fulltext: 10.1590/S0103-50532010000700018

• Electric field gradients in In-doped (Hf/Zr) Al and (Hf/Zr) Al mixed compounds: calculations, perturbed angular correlation measurements and site preference
  L. A. Errico, H. M. Petrilli, L. A. Terrazos, A. Kuliska, P. Wodniecki, K. P. Lieb, M. Uhrmacher, J. Belosevic-Cavor and V. Koteski
  J. Phys.: Condens. Matter 22, 215501 (2010)
  Fulltext: 10.1088/0953-8984/22/21/215501

• Electric field gradient and electronic properties of crown thioether compounds
  F. C. D. A. Lima, R. R. Nascimento, M. B. Gonçalves, S. Cottenier, M. J. Caldas, and H. M. Petrilli
  Hyperfine Interac., 197, 23 (2010)
  Fulltext: 10.1007/s10751-010-0246-8

• Spectroscopic characterization of schiff base-copper complexes immobilized in smectite clays
  P. M. Dias, L. Kinouti, V. R. L. Constantino, A. M. D. C. Ferreira, M. B. Gonçalves, R. R. Nascimento, H. M. Petrilli, M. J. Caldas and R. C. G. Frem
  Quím. Nova 33 (10), 2135 (2010)
  Fulltext: 10.1590/S0100-40422010001000025

• Substitutional Impurities in PPV Crystals: an Intrinsic Donor-Acceptor System for High VOC Photovoltaic Devices
  A. Calzolari, A. Ruini, C. Cavazzoni and M. J. Caldas
  J. Phys. Chem. C 114, 19535 (2010)
  Fulltext: 10.1021/jp105765d

• Theoretical Analysis of Aggregation in Block-Copolymer Films: The Optical Signature

 R. Giro, L. Y. A. Davila, A. M. Machado, M. J. Caldas and L. Akcelrud
 Int. J. Quantum Chem. 110, 885 (2010).
 Fulltext: 10.1002/qua.21979

• Unraveling effects of disorder on the electronic structure of SiO2 from first principles

 L. Martin-Samos, G. Bussi, A. Ruini, E. Molinari and M. J. Caldas
 Phys Rev. B 81, 081202 (2010)
 Fulltext: 10.1103/PhysRevB.81.081202

• Interactions of di-imine copper(II) complexes with albumin: competitive equilibria, promoted oxidative damage and DFT studies
  M. A. A. Azzellini, M. P. Abbott, A. Machado, M. T. Miranda, L. C. Garcia, G. F. Garamori, M. B. Gonçalves, H. M. Petrilli and A. M. C. Ferreira
  Journal of the Brazilian Chemical Society 21, 1303, (2010).
  Fulltext: [baixe o artigo]

•  SiO2 in Density Functional Theory and Beyond
   L. Martin-Samos, G. Bussi, A. Ruini, E. Molinari and M.J. Caldas 
   Phys. Status Solidi B 248, 1061(2011)
   Fulltext: 10.1002/pssb.201046283

• A tight-binding investigation of temperature effects on the mono-hydride diamond surface
  R. Ramos and M. J. Caldas
  AIP Conf. Proc. 1199, 13, (2010)
  Fulltext: 10.1063/1.3295335

•  A reaction pathway for water adsorption on Si(100)(2×1)
   R. Lelis-Sousa and M. J. Caldas
   AIP Conf. Proc. 1199, 9, (2010)
   Fulltext: 10.1063/1.3295573