Search publications

Search results

6834 results: 6796 articles and 38 books or book chapters

1. 5621 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).
2. 5622 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).
3. 5623 The Many-Body Exchange-Correlation Hole at Metal Surfaces
   L. A. Constantin, and J. M. Pitarke
   J. Chem. Theory Comput. 5, 895 (2009).
4. 5624 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).
5. 5625 Iterative Diagonalization for Orbital Optimization in Natural Orbital Functional Theory
   M. Piris, and J. M. Ugalde
   J. Comput. Chem. 30, 2078 (2009).
6. 5626 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).
7. 5627 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).
8. 5628 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).
9. 5629 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).
10. 5630 Adsorption and Reactivity of CO2 on Defective Graphene Sheets
    P. Cabrera-Sanfelix
    J. Phys. Chem. A 113, 493 (2009).
11. 5631 Aluminum Incorporation to Dreierketten Silicate Chains
    H. Manzano, J. S. Dolado, and A. Ayuela
    J. Phys. Chem. B 113, 2832 (2009).
12. 5632 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).
13. 5633 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).
14. 5634 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).
15. 5635 A Dynamic Landscape from Femtoseconds to Minutes for Excess Electrons at Ice-Metal Interfaces
    U. Bovensiepen, C. Gahl, J. Staehler, M. Bockstedte, M. Meyer, F. Baletto, S. Scandolo, X. -Y. Zhu, A. Rubio, and M. Wolf
    J. Phys. Chem. C 113, 979 (2009).
16. 5636 Experimental Relation between Stranski-Krastanov Growth of DIP/F16CoPC Heterostructures and the Reconstruction of the Organic Interface
    D. G. de Oteyza, E. Barrena, Y. Zhang, T. N. Krauss, A. Turak, A. Vorobiev, and H. Dosch
    J. Phys. Chem. C 113, 4234 (2009).
17. 5637 Dissipative effects in the dynamics of N-2 on tungsten surfaces
    I. Goikoetxea, J. I. Juaristi, M. Alducin, and R. Diez Muino
    J. Phys.-Condes. Matter 21, 264007 (2009).
18. 5638 Electronic states in faceted Au(111) studied with curved crystal surfaces
    M. Corso, F. Schiller, L. Fernandez, J. Cordon, and J. E. Ortega
    J. Phys.-Condes. Matter 21, 353001 (2009).
19. 5639 Coupling of conduction electrons to two-level systems formed by hydrogen: a scattering approach
    I. Nagy, and A. Zawadowski
    J. Phys.-Condes. Matter 21, 175701 (2009).
20. 5640 Very-low-energy electron diffraction from TiS2: experiment and ab initio theory
    E. E. Krasovskii, and V. N. Strocov
    J. Phys.-Condes. Matter 21, 314009 (2009).