• SiO2 in density functional theory and beyond
    Martin-Samos, L. ; Bussi, G. ; Ruini, A. ; Molinari, E. ; Caldas, M. J.
    Phys. Stat. Sol. B 248, 1061 (2011)
    Fulltext: 10.1002/pssb.201046283
  • Optical Properties and Charge-Transfer Excitations in Edge-Functionalized All-Graphene Nanojunctions
    C. Cocchi, D. Prezzi, A. Ruini, M.J. Caldas and E. Molinari,
    J. Phys. Chem. Lett. 2, 1315 (2011)
    Fulltext: 10.1021/jz200472a
  • Ab initio study of the early stages of gas-phase water oxidation of the Si(100) (2 1):H surface 
    Lelis-Sousa, R. and Caldas, M. J.
    Phys. Rev. B CMMP 84, 205314 (2011)
    Fulltext: 10.1103/PhysRevB.84.205314
  • Hyperfine Interactions in Silicon Quantum Dots
    L. V. C. Assali, H. M. Petrilli, R. B. Capaz, B. Koiller, X. Hu and S. Das Sarma
    Phys. Rev. B 83, 165301 (2011)
    Fulltext: 10.1103/PhysRevB.83.165301
  • Designing All-Graphene Nanojunctions by Covalent Functionalization
    C. Cocchi, A. Ruini, D. Prezzi, M. J. Caldas and E. Molinari,
    J. Phys. Chem. C 115, 2969 (2011)
    Fulltext: 10.1021/jp109909s