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7221 results: 7161 articles and 60 books or book chapters
Last updated: Jun 15, 2026-
5801
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). -
5802
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). -
5803
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). -
5804
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). -
5805
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). -
5806
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). -
5807
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). -
5808
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). -
5809
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). -
5810
Attenuation of excited electrons at crystal surfaces
I. Bartos, and E. E. Krasovskii
J. Electron Spectrosc. Relat. Phenom. 180, 66 (2010). -
5811
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). -
5812
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). -
5813
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). -
5814
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). -
5815
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). -
5816
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). -
5817
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). -
5818
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). -
5819
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). -
5820
Ionization Energies for the Actinide Mono- and Dioxides Series, from Th
to Cm: Theory versus Experiment
I. Infante, A. Kovacs, G. La Macchia, A. R. M. Shahi, J. K. Gibson, and L. Gagliardi
J. Phys. Chem. A 114, 6007 (2010).