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6950 results: 6907 articles and 43 books or book chapters

1. 5721 Structural, Mechanical, and Reactivity Properties of Tricalcium Aluminate Using First-Principles Calculations
   H. Manzano, J. S. Dolado, and A. Ayuelaz
   J. Am. Ceram. Soc. 92, 897 (2009).
2. 5722 Sandwich Complexes of the Metalloaromatic eta(3)-Al3R3 Ligand
   J. M. Mercero, M. Piris, J. M. Matxain, X. Lopez, and J. M. Ugalde
   J. Am. Chem. Soc. 131, 6949+ (2009).
3. 5723 Designing 3-D Molecular Stars
   W. Tiznado, N. Perez-Peralta, R. Islas, A. Toro-Labbe, J. M. Ugalde, and G. Merino
   J. Am. Chem. Soc. 131, 9426 (2009).
4. 5724 Determination of the nanoscale dielectric constant by means of a double pass method using electrostatic force microscopy
   C. Riedel, R. Arinero, P. Tordjeman, M. Ramonda, G. Leveque, G. A. Schwartz, D. G. de Oteyza, A. Alegria, and J. Colmenero
   J. Appl. Phys. 106, 024315 (2009).
5. 5725 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).
6. 5726 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).
7. 5727 Exact Kohn-Sham potential of strongly correlated finite systems
   N. Helbig, I. V. Tokatly, and A. Rubio
   J. Chem. Phys. 131, 224105 (2009).
8. 5728 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).
9. 5729 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).
10. 5730 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).
11. 5731 Spin conserving natural orbital functional theory
    M. Piris, J. M. Matxain, X. Lopez, and J. M. Ugalde
    J. Chem. Phys. 131, 021102 (2009).
12. 5732 High pressure dynamics of polymer/plasticizer mixtures
    G. Ariel Schwartz, M. Paluch, A. Alegria, and J. Colmenero
    J. Chem. Phys. 131, 044906 (2009).
13. 5733 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).
14. 5734 Calculations of trapping and desorption in heavy atom collisions with surfaces
    G. Fan, and J. R. Manson
    J. Chem. Phys. 130, 064703 (2009).
15. 5735 On the temperature dependence of the nonexponentiality in glass-forming liquids
    D. Cangialosi, A. Alegria, and J. Colmenero
    J. Chem. Phys. 130, 124902 (2009).
16. 5736 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).
17. 5737 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).
18. 5738 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).
19. 5739 The Many-Body Exchange-Correlation Hole at Metal Surfaces
    L. A. Constantin, and J. M. Pitarke
    J. Chem. Theory Comput. 5, 895 (2009).
20. 5740 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).