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6817 results: 6779 articles and 38 books or book chapters

1. 5161 Analog of Rabi oscillations in resonant electron-ion systems
   L. Stella, R. P. Miranda, A. P. Horsfield, and A. J. Fisher
   J. Chem. Phys. 134, 194105 (2011).
2. 5162 From caging to Rouse dynamics in polymer melts with intramolecular barriers: A critical test of the mode coupling theory
   M. Bernabei, A. J. Moreno, E. Zaccarelli, F. Sciortino, and J. Colmenero
   J. Chem. Phys. 134, 024523 (2011).
3. 5163 Effect of hydration on the dielectric properties of C-S-H gel
   S. Cerveny, S. Arrese-Igor, J. S. Dolado, J. J. Gaitero, A. Alegria, and J. Colmenero
   J. Chem. Phys. 134, 034509 (2011).
4. 5164 Free volume holes diffusion to describe physical aging in poly(mehtyl methacrylate)/silica nanocomposites
   D. Cangialosi, V. M. Boucher, A. Alegria, and J. Colmenero
   J. Chem. Phys. 135, 014901 (2011).
5. 5165 A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. I. General formalism and application to open-shell states
   R. P. Miranda, A. J. Fisher, L. Stella, and A. P. Horsfield
   J. Chem. Phys. 134, 244101 (2011).
6. 5166 A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. II. Coulomb interaction effects in single conjugated polymer chains
   R. P. Miranda, A. J. Fisher, L. Stella, and A. P. Horsfield
   J. Chem. Phys. 134, 244102 (2011).
7. 5167 Positron annihilation and relaxation dynamics from dielectric spectroscopy and nuclear magnetic resonance: Cis-trans-1,4-poly(butadiene)
   J. Bartos, O. Sausa, G. A. Schwartz, A. Alegria, J. M. Alberdi, A. Arbe, J. Kristiak, and J. Colmenero
   J. Chem. Phys. 134, 164507 (2011).
8. 5168 Design of effective kernels for spectroscopy and molecular transport: Time-dependent current-density-functional theory
   M. Gatti
   J. Chem. Phys. 134, 084102 (2011).
9. 5169 Study of the structure and dynamics of poly(vinyl pyrrolidone) by molecular dynamics simulations validated by quasielastic neutron scattering and x-ray diffraction experiments
   R. Busselez, A. Arbe, F. Alvarez, J. Colmenero, and B. Frick
   J. Chem. Phys. 134, 054904 (2011).
10. 5170 Fractional spin in reduced density-matrix functional theory
    N. Helbig, G. Theodorakopoulos, and N. N. Lathiotakis
    J. Chem. Phys. 135, 054109 (2011).
11. 5171 A natural orbital functional for multiconfigurational states
    M. Piris, X. Lopez, F. Ruiperez, J. M. Matxain, and J. M. Ugalde
    J. Chem. Phys. 134, 164102 (2011).
12. 5172 Structure, electronic, and optical properties of TiO2 atomic clusters: An ab initio study
    L. Chiodo, M. Salazar, A. H. Romero, S. Laricchia, F. Della Sala, and A. Rubio
    J. Chem. Phys. 135, 244704 (2011).
13. 5173 Determining concentration depth profiles in fluorinated networks by means of electric force microscopy
    L. A. Miccio, M. M. Kummali, P. E. Montemartini, P. A. Oyanguren, G. A. Schwartz, A. Alegria, and J. Colmenero
    J. Chem. Phys. 135, 064704 (2011).
14. 5174 Unoccupied states in Cu and Zn octaethyl-porphyrin and phthalocyanine
    P. L. Cook, W. Yang, X. Liu, J. Maria Garcia-Lastra, A. Rubio, and F. J. Himpsel
    J. Chem. Phys. 134, 204707 (2011).
15. 5175 Quasielastic neutron scattering study of hydrogen motions in an aqueous poly(vinyl methyl ether) solution
    S. Capponi, A. Arbe, S. Cerveny, R. Busselez, B. Frick, J. P. Embs, and J. Colmenero
    J. Chem. Phys. 134, 204906 (2011).
16. 5176 The free volume of poly(vinyl methylether) as computed in a wide temperature range and at length scales up to the nanoregion
    D. Racko, S. Capponi, F. Alvarez, and J. Colmenero
    J. Chem. Phys. 134, 044512 (2011).
17. 5177 Quantum chemical assessment of the binding energy of CuO+
    E. Rezabal, J. Gauss, J. M. Matxain, R. Berger, M. Diefenbach, and M. C. Holthausen
    J. Chem. Phys. 134, 064304 (2011).
18. 5178 Kinetic energy distribution of multiply charged ions in Coulomb explosion of Xe clusters
    A. Heidenreich, and J. Jortner
    J. Chem. Phys. 134, 074315 (2011).
19. 5179 Complete vs Restricted Active Space Perturbation Theory Calculation of the Cr-2 Potential Energy Surface
    F. Ruiperez, F. Aquilante, J. M. Ugalde, and I. Infante
    J. Chem. Theory Comput. 7, 1640 (2011).
20. 5180 Theoretical study of the structural stability and the electronic properties of AlmHn clusters
    J. I. Martinez, F. Calle-Vallejo, V. Tripkovic, and J. A. Alonso
    J. Comput. Theor. Nanosci. 8, 609 (2011).