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7182 results: 7122 articles and 60 books or book chapters

1. 5761 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. 5762 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. 5763 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. 5764 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. 5765 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. 5766 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. 5767 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. 5768 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. 5769 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. 5770 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. 5771 Attenuation of excited electrons at crystal surfaces
    I. Bartos, and E. E. Krasovskii
    J. Electron Spectrosc. Relat. Phenom. 180, 66 (2010).
12. 5772 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. 5773 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. 5774 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. 5775 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. 5776 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. 5777 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. 5778 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. 5779 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. 5780 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).