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6541 results: 6501 articles and 40 books or book chapters

1. 5321 Spin conserving natural orbital functional theory
   M. Piris, J. M. Matxain, X. Lopez, and J. M. Ugalde
   J. Chem. Phys. 131, 021102 (2009).
2. 5322 High pressure dynamics of polymer/plasticizer mixtures
   G. Ariel Schwartz, M. Paluch, A. Alegria, and J. Colmenero
   J. Chem. Phys. 131, 044906 (2009).
3. 5323 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. 5324 Calculations of trapping and desorption in heavy atom collisions with surfaces
   G. Fan, and J. R. Manson
   J. Chem. Phys. 130, 064703 (2009).
5. 5325 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. 5326 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. 5327 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. 5328 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. 5329 The Many-Body Exchange-Correlation Hole at Metal Surfaces
   L. A. Constantin, and J. M. Pitarke
   J. Chem. Theory Comput. 5, 895 (2009).
10. 5330 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. 5331 Iterative Diagonalization for Orbital Optimization in Natural Orbital Functional Theory
    M. Piris, and J. M. Ugalde
    J. Comput. Chem. 30, 2078 (2009).
12. 5332 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. 5333 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. 5334 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. 5335 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. 5336 Adsorption and Reactivity of CO2 on Defective Graphene Sheets
    P. Cabrera-Sanfelix
    J. Phys. Chem. A 113, 493 (2009).
17. 5337 Aluminum Incorporation to Dreierketten Silicate Chains
    H. Manzano, J. S. Dolado, and A. Ayuela
    J. Phys. Chem. B 113, 2832 (2009).
18. 5338 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. 5339 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. 5340 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).