Search publications

Search results

7377 results: 7317 articles and 60 books or book chapters

1. 5961 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. 5962 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. 5963 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. 5964 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. 5965 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. 5966 Attenuation of excited electrons at crystal surfaces
   I. Bartos, and E. E. Krasovskii
   J. Electron Spectrosc. Relat. Phenom. 180, 66 (2010).
7. 5967 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. 5968 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. 5969 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. 5970 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. 5971 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. 5972 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. 5973 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. 5974 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. 5975 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. 5976 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. 5977 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. 5978 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. 5979 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. 5980 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).