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7230 results: 7170 articles and 60 books or book chapters

1. 6001 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. 6002 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. 6003 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. 6004 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. 6005 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. 6006 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. 6007 Exact Kohn-Sham potential of strongly correlated finite systems
   N. Helbig, I. V. Tokatly, and A. Rubio
   J. Chem. Phys. 131, 224105 (2009).
8. 6008 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. 6009 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. 6010 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. 6011 Spin conserving natural orbital functional theory
    M. Piris, J. M. Matxain, X. Lopez, and J. M. Ugalde
    J. Chem. Phys. 131, 021102 (2009).
12. 6012 High pressure dynamics of polymer/plasticizer mixtures
    G. Ariel Schwartz, M. Paluch, A. Alegria, and J. Colmenero
    J. Chem. Phys. 131, 044906 (2009).
13. 6013 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. 6014 Calculations of trapping and desorption in heavy atom collisions with surfaces
    G. Fan, and J. R. Manson
    J. Chem. Phys. 130, 064703 (2009).
15. 6015 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. 6016 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. 6017 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. 6018 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. 6019 The Many-Body Exchange-Correlation Hole at Metal Surfaces
    L. A. Constantin, and J. M. Pitarke
    J. Chem. Theory Comput. 5, 895 (2009).
20. 6020 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).