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7302 results: 7242 articles and 60 books or book chapters

1. 6081 Ab initio electronic and optical spectra of free-base porphyrins: The role of electronic correlation
   M. Palummo, C. Hogan, F. Sottile, P. Bagala, and A. Rubio
   J. Chem. Phys. 131, 084102 (2009).
2. 6082 Dielectric relaxations in ribose and deoxyribose supercooled water solutions
   S. E. Pagnotta, S. Cerveny, A. Alegria, and J. Colmenero
   J. Chem. Phys. 131, 085102 (2009).
3. 6083 Spin conserving natural orbital functional theory
   M. Piris, J. M. Matxain, X. Lopez, and J. M. Ugalde
   J. Chem. Phys. 131, 021102 (2009).
4. 6084 High pressure dynamics of polymer/plasticizer mixtures
   G. Ariel Schwartz, M. Paluch, A. Alegria, and J. Colmenero
   J. Chem. Phys. 131, 044906 (2009).
5. 6085 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).
6. 6086 Calculations of trapping and desorption in heavy atom collisions with surfaces
   G. Fan, and J. R. Manson
   J. Chem. Phys. 130, 064703 (2009).
7. 6087 On the temperature dependence of the nonexponentiality in glass-forming liquids
   D. Cangialosi, A. Alegria, and J. Colmenero
   J. Chem. Phys. 130, 124902 (2009).
8. 6088 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).
9. 6089 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).
10. 6090 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).
11. 6091 The Many-Body Exchange-Correlation Hole at Metal Surfaces
    L. A. Constantin, and J. M. Pitarke
    J. Chem. Theory Comput. 5, 895 (2009).
12. 6092 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).
13. 6093 Iterative Diagonalization for Orbital Optimization in Natural Orbital Functional Theory
    M. Piris, and J. M. Ugalde
    J. Comput. Chem. 30, 2078 (2009).
14. 6094 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).
15. 6095 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).
16. 6096 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).
17. 6097 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).
18. 6098 Adsorption and Reactivity of CO2 on Defective Graphene Sheets
    P. Cabrera-Sanfelix
    J. Phys. Chem. A 113, 493 (2009).
19. 6099 Aluminum Incorporation to Dreierketten Silicate Chains
    H. Manzano, J. S. Dolado, and A. Ayuela
    J. Phys. Chem. B 113, 2832 (2009).
20. 6100 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).