Argitalpen bilaketa

Bilaketaren emaitzak

6838 results: 6800 articles and 38 books or book chapters

1. 5181 An O(N-3) implementation of Hedin's GW approximation for molecules
   D. Foerster, P. Koval, and D. Sanchez-Portal
   J. Chem. Phys. 135, 074105 (2011).
2. 5182 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).
3. 5183 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).
4. 5184 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).
5. 5185 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).
6. 5186 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).
7. 5187 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).
8. 5188 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).
9. 5189 Design of effective kernels for spectroscopy and molecular transport: Time-dependent current-density-functional theory
   M. Gatti
   J. Chem. Phys. 134, 084102 (2011).
10. 5190 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).
11. 5191 Fractional spin in reduced density-matrix functional theory
    N. Helbig, G. Theodorakopoulos, and N. N. Lathiotakis
    J. Chem. Phys. 135, 054109 (2011).
12. 5192 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).
13. 5193 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).
14. 5194 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).
15. 5195 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).
16. 5196 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).
17. 5197 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).
18. 5198 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).
19. 5199 Kinetic energy distribution of multiply charged ions in Coulomb explosion of Xe clusters
    A. Heidenreich, and J. Jortner
    J. Chem. Phys. 134, 074315 (2011).
20. 5200 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).