• Electronics and Optics of Graphene Nanoflakes: Edge Functionalization and Structural Distortions
    C. Cocchi, D. Prezzi, A. Ruini, M. J. Caldas and E. Molinari
    J. Phys. Chem. C, 116, 17328 (2012)
    Fulltext: dx.doi.org/10.1021/jp300657k
  • Intrinsic uncertainty on ab initio phase diagram and compound formation energy calculations: BCC Mo–Fe as a test case
    N. Sodre, J. C. Garcia, L. V. C. Assali, P. G. Gonzales-Ormeno, P. Blaha, H. M. Petrilli and C. G. Schön
    Phys. Status Solidi B, 1 (2012)
    Fulltext: 10.1002/pssb.201248386
  •  Site Localization of Cd Impurities in Saphire
    G. N. Garriba, M. Renteria, H. M. Petrilli and L. V. C. Assali
    Phys. Rev. B, 86, 075203 (2012)
    Fulltext: 10.1103/PhysRevB.86.075203
  •   Optical Excitations and Field Enhancement in Short Graphene Nanoribbons
    C. Cocchi, D. Prezzi, A. Ruini, E. Benassi, M. J. Caldas, S. Corni, and E. Molinari
    J. Phys. Chem. Lett., 3, 924 (2012)
    Fulltext: 10.1021/jz300164p
  • Structural, Spectroscopic (NMR, IR, and Raman), and DFT Investigation of the Self-Assembled Nanostructure of Pravastatin-LDH (Layered Double Hydroxides) Systems
    V. R. R. Cunha, P. A. D. Petersen, Marcos B. Gonçalves, H. M. Petrilli, C. Taviot-Gueho, F. Leroux, M. L. A. Temperini, and V. R. L. Constantino
    Chem. Mater. 24, 1415 (2012)
    Fulltext: 10.1021/cm202953y
  • First-principles studies of complex magnetism in Mn nanostructures on the Fe(001) surface
    R. N. Igarashi, A. B. Klautau, R. B. Muniz, B. Sanyal, and H. M. Petrilli
    Phys. Rev. B 85, 014436 (2012)
    Fulltext: 10.1103/PhysRevB.85.01443