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6780 results: 6742 articles and 38 books or book chapters

1. 5561 Spin conserving natural orbital functional theory
   M. Piris, J. M. Matxain, X. Lopez, and J. M. Ugalde
   J. Chem. Phys. 131, 021102 (2009).
2. 5562 High pressure dynamics of polymer/plasticizer mixtures
   G. Ariel Schwartz, M. Paluch, A. Alegria, and J. Colmenero
   J. Chem. Phys. 131, 044906 (2009).
3. 5563 Study of the dynamics of poly(ethylene oxide) by combining molecular dynamic simulations and neutron scattering experiments
   M. Brodeck, F. Alvarez, A. Arbe, F. Juranyi, T. Unruh, O. Holderer, J. Colmenero, and D. Richter
   J. Chem. Phys. 130, 094908 (2009).
4. 5564 Calculations of trapping and desorption in heavy atom collisions with surfaces
   G. Fan, and J. R. Manson
   J. Chem. Phys. 130, 064703 (2009).
5. 5565 On the temperature dependence of the nonexponentiality in glass-forming liquids
   D. Cangialosi, A. Alegria, and J. Colmenero
   J. Chem. Phys. 130, 124902 (2009).
6. 5566 Neutron scattering study of the dynamics of a polymer melt under nanoscopic confinement
   M. Krutyeva, J. Martin, A. Arbe, J. Colmenero, C. Mijangos, G. J. Schneider, T. Unruh, Y. Su, and D. Richter
   J. Chem. Phys. 131, 174901 (2009).
7. 5567 The free-volume structure of a polymer melt, poly(vinyl methylether) from molecular dynamics simulations and cavity analysis
   D. Racko, S. Capponi, F. Alvarez, J. Colmenero, and J. Bartos
   J. Chem. Phys. 131, 064903 (2009).
8. 5568 The electronic structure of oxygen atom vacancy and hydroxyl impurity defects on titanium dioxide (110) surface
   T. Minato, Y. Sainoo, Y. Kim, H. S. Kato, K. -ichi Aika, M. Kawai, J. Zhao, H. Petek, T. Huang, W. He, B. Wang, Z. Wang, Y. Zhao, J. Yang, and J. G. Hou
   J. Chem. Phys. 130, 124502 (2009).
9. 5569 The Many-Body Exchange-Correlation Hole at Metal Surfaces
   L. A. Constantin, and J. M. Pitarke
   J. Chem. Theory Comput. 5, 895 (2009).
10. 5570 Modified Ehrenfest Formalism for Efficient Large-Scale ab initio Molecular Dynamics
    X. Andrade, A. Castro, D. Zueco, J. L. Alonso, P. Echenique, F. Falceto, and A. Rubio
    J. Chem. Theory Comput. 5, 728 (2009).
11. 5571 Iterative Diagonalization for Orbital Optimization in Natural Orbital Functional Theory
    M. Piris, and J. M. Ugalde
    J. Comput. Chem. 30, 2078 (2009).
12. 5572 Near infrared to visible upconversion of Er3+ in CaZrO3/CaSZ eutectic crystals with ordered lamellar microstructure
    R. Balda, S. Garcia-Revilla, J. Fernandez, R. I. Merino, J. I. Pena, and V. M. Orera
    J. Lumines. 129, 1422 (2009).
13. 5573 Study of the induced potential produced by ultrashort pulses on metal surfaces
    M. Faraggi, I. Aldazabal, M. Silvia Gravielle, A. Arnau, and V. M. Silkin
    J. Opt. Soc. Am. B-Opt. Phys. 26, 2331 (2009).
14. 5574 Time-dependent theory of Auger decay induced by ultra-short pulses in a strong laser field
    A. K. Kazansky, I. P. Sazhina, and N. M. Kabachnik
    J. Phys. B-At. Mol. Opt. Phys. 42, 245601 (2009).
15. 5575 Sideband structure in angle-resolved electron spectra from laser-assisted Auger decay generated by ultra-short pulses
    A. K. Kazansky, and N. M. Kabachnik
    J. Phys. B-At. Mol. Opt. Phys. 42, 121002 (2009).
16. 5576 Adsorption and Reactivity of CO2 on Defective Graphene Sheets
    P. Cabrera-Sanfelix
    J. Phys. Chem. A 113, 493 (2009).
17. 5577 Aluminum Incorporation to Dreierketten Silicate Chains
    H. Manzano, J. S. Dolado, and A. Ayuela
    J. Phys. Chem. B 113, 2832 (2009).
18. 5578 Modeling Protein Splicing: Reaction Pathway for C-Terminal Splice and Intein Scission
    J. I. Mujika, X. Lopez, and A. J. Mulholland
    J. Phys. Chem. B 113, 5607 (2009).
19. 5579 Fingerprints of Bonding Motifs in DNA Duplexes of Adenine and Thymine Revealed from Circular Dichroism: Synchrotron Radiation Experiments and TDDFT Calculations
    L. M. Nielsen, A. I. S. Holm, D. Varsano, U. Kadhane, S. V. Hoffmann, R. Di Felice, A. Rubio, and S. B. Nielsen
    J. Phys. Chem. B 113, 9614 (2009).
20. 5580 Evidence of High center dot OH Radical Quenching Efficiency by Vitamin B-6
    J. M. Matxain, D. Padro, M. Ristila, A. Strid, and L. A. Eriksson
    J. Phys. Chem. B 113, 9629 (2009).