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6855 results: 6817 articles and 38 books or book chapters

1. 5441 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).
2. 5442 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).
3. 5443 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).
4. 5444 Attenuation of excited electrons at crystal surfaces
   I. Bartos, and E. E. Krasovskii
   J. Electron Spectrosc. Relat. Phenom. 180, 66 (2010).
5. 5445 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).
6. 5446 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).
7. 5447 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).
8. 5448 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).
9. 5449 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).
10. 5450 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).
11. 5451 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).
12. 5452 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).
13. 5453 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).
14. 5454 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).
15. 5455 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).
16. 5456 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).
17. 5457 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).
18. 5458 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).
19. 5459 Dynamics of Water Intercalated in Graphite Oxide
    S. Cerveny, F. Barroso-Bujans, A. Alegria, and J. Colmenero
    J. Phys. Chem. C 114, 2604 (2010).
20. 5460 Growth and Structure of Self-assembled Monolayers of a TTF Derivative on Au(111)
    C. Urban, D. Ecija, Y. Wang, M. Trelka, I. Preda, A. Vollmer, N. Lorente, A. Arnau, M. Alcami, L. Soriano, N. Martin, F. Martin, R. Otero, J. M. Gallego, and R. Miranda
    J. Phys. Chem. C 114, 6503 (2010).