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6834 results: 6796 articles and 38 books or book chapters

1. 6081 Electron correlation in the 3 (1)Sigma(+)(g) and 2 (1)Sigma(+)(u) excited state lithium molecule
   J. Wang, L. Zhang, Y. Wang, and J. M. Ugalde
   J. Chem. Phys. 125, 234102 (2006).
2. 6082 Scanning tunneling spectroscopy simulations of poly(3-dodecylthiophene) chains adsorbed on highly oriented pyrolytic graphite
   M. Dubois, S. Latil, L. Scifo, B. Grevin, and A. Rubio
   J. Chem. Phys. 125, 034708 (2006).
3. 6083 A thermodynamic approach to the fragility of glass-forming polymers
   D. Cangialosi, A. Alegria, and J. Colmenero
   J. Chem. Phys. 124, 024906 (2006).
4. 6084 Relaxation scenarios in a mixture of large and small spheres: Dependence on the size disparity
   A. J. Moreno, and J. Colmenero
   J. Chem. Phys. 125, 164507 (2006).
5. 6085 Describing the component dynamics in miscible polymer blends: Towards a fully predictive model
   G. A. Schwartz, D. Cangialosi, A. Alegria, and J. Colmenero
   J. Chem. Phys. 124, 154904 (2006).
6. 6086 Density functionals from many-body perturbation theory: The band gap for semiconductors and insulators
   M. Gruning, A. Marini, and A. Rubio
   J. Chem. Phys. 124, 154108 (2006).
7. 6087 Gel to glass transition in simulation of a valence-limited colloidal system
   E. Zaccarelli, I. Saika-Voivod, S. V. Buldyrev, A. J. Moreno, P. Tartaglia, and F. Sciortino
   J. Chem. Phys. 124, 124908 (2006).
8. 6088 Low sticking probability in the nonactivated dissociation of N-2 molecules on W(110)
   M. Alducin, R. Diez Muino, H. F. Busnengo, and A. Salin
   J. Chem. Phys. 125, 144705 (2006).
9. 6089 Logarithmic relaxation in a kinetically constrained model
   A. J. Moreno, and J. Colmenero
   J. Chem. Phys. 125, 016101 (2006).
10. 6090 Water dynamics in n-propylene glycol aqueous solutions
    S. Cerveny, G. A. Schwartz, A. Alegria, R. Bergman, and J. Swenson
    J. Chem. Phys. 124, 194501 (2006).
11. 6091 Plasticizer effect on the dynamics of polyvinylchloride studied by dielectric spectroscopy and quasielastic neutron scattering
    R. Zorn, M. Monkenbusch, D. Richter, A. Alegria, J. Colmenero, and B. Farago
    J. Chem. Phys. 125, 154904 (2006).
12. 6092 Is there a higher-order mode coupling transition in polymer blends?
    A. J. Moreno, and J. Colmenero
    J. Chem. Phys. 124, 184906 (2006).
13. 6093 Beyond time-dependent exact exchange: The need for long-range correlation
    F. Bruneval, F. Sottile, V. Olevano, and L. Reining
    J. Chem. Phys. 124, 144113 (2006).
14. 6094 Non-Gaussian energy landscape of a simple model for strong network-forming liquids: Accurate evaluation of the configurational entropy
    A. J. Moreno, I. Saika-Voivod, E. Zaccarelli, E. La Nave, S. V. Buldyrev, P. Tartaglia, and F. Sciortino
    J. Chem. Phys. 124, 204509 (2006).
15. 6095 Photoabsorption spectra of Ti8C12 metallocarbohedrynes: Theoretical spectroscopy within time-dependent density functional theory
    J. I. Martinez, A. Castro, A. Rubio, and J. A. Alonso
    J. Chem. Phys. 125, 074311 (2006).
16. 6096 Electronic structure and excitations in oligoacenes from ab initio calculations
    E. S. Kadantsev, M. J. Stott, and A. Rubio
    J. Chem. Phys. 124, 134901 (2006).
17. 6097 Electronic structure of C-60 on Au(887)
    F. Schiller, M. Ruiz-Oses, J. E. Ortega, P. Segovia, J. Martinez-Blanco, B. P. Doyle, V. Perez-Dieste, J. Lobo, N. Neel, R. Berndt, and J. Kroeger
    J. Chem. Phys. 125, 144719 (2006).
18. 6098 Optical absorption spectra of V-4(+) isomers: One example of first-principles theoretical spectroscopy with time-dependent density functional theory
    J. I. Martinez, A. Castro, A. Rubio, and J. A. Alonso
    J. Comput. Theor. Nanosci. 3, 761 (2006).
19. 6099 A study of the coordination shell of aluminum(III) and magnesium(II) in model protein of the complex formation and environments: Thermodynamics metal exchange reactions
    E. Rezabal, J. M. Mercero, X. Lopez, and J. M. Ugalde
    J. Inorg. Biochem. 100, 374 (2006).
20. 6100 Molecular motions in glassy polycarbonate below its glass transition temperature
    S. Arrese-Igor, O. Mitxelena, A. Arbe, A. Alegria, J. Colmenero, and B. Frick
    J. Non-Cryst. Solids 352, 5072 (2006).