Search publications

Search results

6946 results: 6907 articles and 39 books or book chapters

1. 5721 The role of intramolecular barriers on the glass transition of polymers: Computer simulations versus mode coupling theory
   M. Bernabei, A. J. Moreno, and J. Colmenero
   J. Chem. Phys. 131, 204502 (2009).
2. 5722 Atomic motions in poly(vinyl methyl ether): A combined study by quasielastic neutron scattering and molecular dynamics simulations in the light of the mode coupling theory
   S. Capponi, A. Arbe, F. Alvarez, J. Colmenero, B. Frick, and J. P. Embs
   J. Chem. Phys. 131, 204901 (2009).
3. 5723 Exact Kohn-Sham potential of strongly correlated finite systems
   N. Helbig, I. V. Tokatly, and A. Rubio
   J. Chem. Phys. 131, 224105 (2009).
4. 5724 Influence of a dielectric layer on photon emission induced by a scanning tunneling microscope
   X. Tao, Z. C. Dong, J. L. Yang, Y. Luo, J. G. Hou, and J. Aizpurua
   J. Chem. Phys. 130, 084706 (2009).
5. 5725 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).
6. 5726 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).
7. 5727 Spin conserving natural orbital functional theory
   M. Piris, J. M. Matxain, X. Lopez, and J. M. Ugalde
   J. Chem. Phys. 131, 021102 (2009).
8. 5728 High pressure dynamics of polymer/plasticizer mixtures
   G. Ariel Schwartz, M. Paluch, A. Alegria, and J. Colmenero
   J. Chem. Phys. 131, 044906 (2009).
9. 5729 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).
10. 5730 Calculations of trapping and desorption in heavy atom collisions with surfaces
    G. Fan, and J. R. Manson
    J. Chem. Phys. 130, 064703 (2009).
11. 5731 On the temperature dependence of the nonexponentiality in glass-forming liquids
    D. Cangialosi, A. Alegria, and J. Colmenero
    J. Chem. Phys. 130, 124902 (2009).
12. 5732 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).
13. 5733 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).
14. 5734 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).
15. 5735 The Many-Body Exchange-Correlation Hole at Metal Surfaces
    L. A. Constantin, and J. M. Pitarke
    J. Chem. Theory Comput. 5, 895 (2009).
16. 5736 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).
17. 5737 Iterative Diagonalization for Orbital Optimization in Natural Orbital Functional Theory
    M. Piris, and J. M. Ugalde
    J. Comput. Chem. 30, 2078 (2009).
18. 5738 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).
19. 5739 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).
20. 5740 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).