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7033 results: 6990 articles and 43 books or book chapters

1. 5381 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).
2. 5382 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).
3. 5383 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).
4. 5384 Design of effective kernels for spectroscopy and molecular transport: Time-dependent current-density-functional theory
   M. Gatti
   J. Chem. Phys. 134, 084102 (2011).
5. 5385 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).
6. 5386 Fractional spin in reduced density-matrix functional theory
   N. Helbig, G. Theodorakopoulos, and N. N. Lathiotakis
   J. Chem. Phys. 135, 054109 (2011).
7. 5387 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).
8. 5388 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).
9. 5389 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).
10. 5390 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).
11. 5391 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).
12. 5392 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).
13. 5393 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).
14. 5394 Kinetic energy distribution of multiply charged ions in Coulomb explosion of Xe clusters
    A. Heidenreich, and J. Jortner
    J. Chem. Phys. 134, 074315 (2011).
15. 5395 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).
16. 5396 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).
17. 5397 Features of quasiparticle decay in 2D electronic systems with spin-orbit interaction
    I. A. Nechaev, V. M. Silkin, and E. V. Chulkov
    J. Exp. Theor. Phys. 112, 134 (2011).
18. 5398 Magnetic ordering in digital alloys of group-IV semiconductors with 3d-transition metals
    M. M. Otrokov, V. V. Tugushev, A. Ernst, S. A. Ostanin, V. M. Kuznetsov, and E. V. Chulkov
    J. Exp. Theor. Phys. 112, 625 (2011).
19. 5399 A QM/MM study of the complexes formed by aluminum and iron with serum transferrin at neutral and acidic pH
    J. I. Mujika, X. Lopez, E. Rezabal, R. Castillo, S. Marti, V. Moliner, and J. M. Ugalde
    J. Inorg. Biochem. 105, 1446 (2011).
20. 5400 Are the critical exponents for Anderson localization due to disorder well understood?
    Z. D. Zhang, and N. H. March
    J. Math. Chem. 49, 816 (2011).