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6857 results: 6819 articles and 38 books or book chapters

1. 5441 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).
2. 5442 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).
3. 5443 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).
4. 5444 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).
5. 5445 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).
6. 5446 Attenuation of excited electrons at crystal surfaces
   I. Bartos, and E. E. Krasovskii
   J. Electron Spectrosc. Relat. Phenom. 180, 66 (2010).
7. 5447 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).
8. 5448 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).
9. 5449 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).
10. 5450 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).
11. 5451 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).
12. 5452 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).
13. 5453 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).
14. 5454 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).
15. 5455 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).
16. 5456 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).
17. 5457 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).
18. 5458 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).
19. 5459 Ab Initio Study of Microsolvated Al3+-Aromatic Amino Acid Complexes
    J. Larrucea, E. Rezabal, T. Marino, N. Russo, and J. M. Ugalde
    J. Phys. Chem. B 114, 9017 (2010).
20. 5460 The Protonation State of Glu181 in Rhodopsin Revisited: Interpretation of Experimental Data on the Basis of QM/MM Calculations
    J. S. Fraehmcke, M. Wanko, P. Phatak, M. A. Mroginski, and M. Elstner
    J. Phys. Chem. B 114, 11338 (2010).