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6643 results: 6603 articles and 40 books or book chapters

1. 5221 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).
2. 5222 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).
3. 5223 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).
4. 5224 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).
5. 5225 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).
6. 5226 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).
7. 5227 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).
8. 5228 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).
9. 5229 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).
10. 5230 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).
11. 5231 Attenuation of excited electrons at crystal surfaces
    I. Bartos, and E. E. Krasovskii
    J. Electron Spectrosc. Relat. Phenom. 180, 66 (2010).
12. 5232 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).
13. 5233 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).
14. 5234 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).
15. 5235 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).
16. 5236 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).
17. 5237 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).
18. 5238 Intramolecular Double Proton Transfer from 2-Hydroxy-2-iminoacetic Acid to 2-Amino-2-oxoacetic Acid
    B. Bankiewicz, S. Wojtulewski, and S. J. Grabowski
    J. Org. Chem. 75, 1419 (2010).
19. 5239 The role of the von Weizsacker kinetic energy gradient term in independent harmonically confined fermions for arbitrary two-dimensional closed-shell occupancy
    I. A. Howard, and N. H. March
    J. Phys. A-Math. Theor. 43, 195301 (2010).
20. 5240 On the gross structure of sidebands in the spectra of laser-assisted Auger decay
    A. K. Kazansky, and N. M. Kabachnik
    J. Phys. B-At. Mol. Opt. Phys. 43, 035601 (2010).