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6865 results: 6827 articles and 38 books or book chapters

Last updated: 2025/12/01
  1. Scientific article 5441 AB INITIO APPROACH TO STRUCTURAL, ELECTRONIC AND OPTICAL PROPERTIES OF B-, C- AND N-DOPED ANATASE
    V. P. Zhukov, V. M. Zainullina, and E. V. Chulkov
    Int. J. Mod. Phys. B 24, 6049 (2010).
  2. Scientific article 5442 The magnetic moments and their long-range ordering for Fe atoms in a wide variety of metallic environments
    A. Ayuela, and N. H. March
    Int. J. Quantum Chem. 110, 2725 (2010).
  3. Scientific article 5443 Energy bands, conductance, and thermoelectric power for ballistic electrons in a nanowire with spin-orbit interaction
    G. Gumbs, A. Balassis, and D. Huang
    J. Appl. Phys. 108, 093704 (2010).
  4. Scientific article 5444 Communication: The role of the positivity N-representability conditions in natural orbital functional theory
    M. Piris, J. M. Matxain, X. Lopez, and J. M. Ugalde
    J. Chem. Phys. 133, 111101 (2010).
  5. Scientific article 5445 Copper-phthalocyanine based metal-organic interfaces: The effect of fluorination, the substrate, and its symmetry
    D. G. de Oteyza, A. El-Sayed, J. M. Garcia-Lastra, E. Goiri, T. N. Krauss, A. Turak, E. Barrena, H. Dosch, J. Zegenhagen, A. Rubio, Y. Wakayama, and J. E. Ortega
    J. Chem. Phys. 133, 214703 (2010).
  6. Scientific article 5446 Optical to ultraviolet spectra of sandwiches of benzene and transition metal atoms: Time dependent density functional theory and many-body calculations
    J. I. Martinez, J. M. Garcia-Lastra, M. J. Lopez, and J. A. Alonso
    J. Chem. Phys. 132, 044314 (2010).
  7. Scientific article 5447 Chain dynamics of poly(ethylene-alt-propylene) melts by means of coarse-grained simulations based on atomistic molecular dynamics
    R. Perez-Aparicio, J. Colmenero, F. Alvarez, J. T. Padding, and W. J. Briels
    J. Chem. Phys. 132, 024904 (2010).
  8. Scientific article 5448 Time-dependent density functional approach for the calculation of inelastic x-ray scattering spectra of molecules
    A. Sakko, A. Rubio, M. Hakala, and K. Hamalainen
    J. Chem. Phys. 133, 174111 (2010).
  9. Scientific article 5449 Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids
    F. D. Vila, D. A. Strubbe, Y. Takimoto, X. Andrade, A. Rubio, S. G. Louie, and J. J. Rehr
    J. Chem. Phys. 133, 034111 (2010).
  10. Scientific article 5450 Quantum Monte Carlo study of the ground state and low-lying excitedstates of the scandium dimer (vol 128, 194315, 2008)
    J. M. Matxain, E. Rezabal, X. Lopez, J. M. Ugalde, and L. Gagliardi
    J. Chem. Phys. 132, 139901 (2010).
  11. Scientific article 5451 Communications: Accurate description of atoms and molecules by natural orbital functional theory
    M. Piris, J. M. Matxain, X. Lopez, and J. M. Ugalde
    J. Chem. Phys. 132, 031103 (2010).
  12. Scientific article 5452 Size consistency of explicit functionals of the natural orbitals in reduced density matrix functional theory
    N. N. Lathiotakis, N. I. Gidopoulos, and N. Helbig
    J. Chem. Phys. 132, 084105 (2010).
  13. Scientific article 5453 Communication: Systematic shifts of the lowest unoccupied molecular orbital peak in x-ray absorption for a series of 3d metal porphyrins
    J. M. Garcia-Lastra, P. L. Cook, F. J. Himpsel, and A. Rubio
    J. Chem. Phys. 133, 151103 (2010).
  14. Scientific article 5454 Attenuation of excited electrons at crystal surfaces
    I. Bartos, and E. E. Krasovskii
    J. Electron Spectrosc. Relat. Phenom. 180, 66 (2010).
  15. Scientific article 5455 On different mechanisms of electron-phonon scattering of electron and hole excitations on an Ag(110) surface
    S. V. Eremeev, S. S. Tsirkin, and E. V. Chulkov
    J. Exp. Theor. Phys. 110, 788 (2010).
  16. Scientific article 5456 Change in surface states of Ag(111) thin films upon adsorption of a monolayer of PTCDA organic molecules
    N. L. Zaitsev, I. A. Nechaev, and E. V. Chulkov
    J. Exp. Theor. Phys. 110, 114 (2010).
  17. Scientific article 5457 Magnetic force microscopy characterization of heat and current treated Fe40Ni38Mo4B18 amorphous ribbons
    I. Garcia, N. Iturriza, J. Jose del Val, H. Grande, J. A. Pomposo, and J. Gonzalez
    J. Magn. Magn. Mater. 322, 1822 (2010).
  18. Scientific article 5458 Positron annihilation response and broadband dielectric spectroscopy: Poly(propylene glycol)
    J. Bartos, G. A. Schwartz, O. Sausa, A. Alegria, J. Kristiak, and J. Colmenero
    J. Non-Cryst. Solids 356, 782 (2010).
  19. Scientific article 5459 Dielectric relaxation of various end-functionalized polystyrenes: Plastification effects versus specific dynamics
    R. Lund, S. Plaza-Garcia, A. Alegria, J. Colmenero, J. Janoski, S. R. Chowdhury, and R. P. Quirk
    J. Non-Cryst. Solids 356, 676 (2010).
  20. Scientific article 5460 Water dynamics in poly(vinyl pyrrolidone)-water solution before and after isothermal crystallization
    S. Cerveny, S. Ouchiar, G. A. Schwartz, A. Alegria, and J. Colmenero
    J. Non-Cryst. Solids 356, 3037 (2010).
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