Search publications

Search results

6643 results: 6603 articles and 40 books or book chapters

1. 5421 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. 5422 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. 5423 Spin conserving natural orbital functional theory
   M. Piris, J. M. Matxain, X. Lopez, and J. M. Ugalde
   J. Chem. Phys. 131, 021102 (2009).
4. 5424 High pressure dynamics of polymer/plasticizer mixtures
   G. Ariel Schwartz, M. Paluch, A. Alegria, and J. Colmenero
   J. Chem. Phys. 131, 044906 (2009).
5. 5425 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. 5426 Calculations of trapping and desorption in heavy atom collisions with surfaces
   G. Fan, and J. R. Manson
   J. Chem. Phys. 130, 064703 (2009).
7. 5427 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. 5428 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. 5429 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. 5430 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. 5431 The Many-Body Exchange-Correlation Hole at Metal Surfaces
    L. A. Constantin, and J. M. Pitarke
    J. Chem. Theory Comput. 5, 895 (2009).
12. 5432 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. 5433 Iterative Diagonalization for Orbital Optimization in Natural Orbital Functional Theory
    M. Piris, and J. M. Ugalde
    J. Comput. Chem. 30, 2078 (2009).
14. 5434 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. 5435 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. 5436 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. 5437 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. 5438 Adsorption and Reactivity of CO2 on Defective Graphene Sheets
    P. Cabrera-Sanfelix
    J. Phys. Chem. A 113, 493 (2009).
19. 5439 Aluminum Incorporation to Dreierketten Silicate Chains
    H. Manzano, J. S. Dolado, and A. Ayuela
    J. Phys. Chem. B 113, 2832 (2009).
20. 5440 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).