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7139 results: 7096 articles and 43 books or book chapters

1. 5721 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).
2. 5722 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).
3. 5723 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).
4. 5724 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).
5. 5725 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).
6. 5726 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).
7. 5727 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).
8. 5728 Attenuation of excited electrons at crystal surfaces
   I. Bartos, and E. E. Krasovskii
   J. Electron Spectrosc. Relat. Phenom. 180, 66 (2010).
9. 5729 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).
10. 5730 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).
11. 5731 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).
12. 5732 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).
13. 5733 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).
14. 5734 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).
15. 5735 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).
16. 5736 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).
17. 5737 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).
18. 5738 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).
19. 5739 Bond Paths Show Preferable Interactions: Ab Initio and QTAIM Studies on the X-H center dot center dot center dot pi Hydrogen Bond
    S. J. Grabowski, and J. M. Ugalde
    J. Phys. Chem. A 114, 7223 (2010).
20. 5740 Molecular Dynamics Simulation of Bovine Pancreatic Ribonuclease A-CpA and Transition State-like Complexes
    E. Formoso, J. M. Matxain, X. Lopez, and D. M. York
    J. Phys. Chem. B 114, 7371 (2010).