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6574 results: 6534 articles and 40 books or book chapters

1. 4661 Zero point motion effect on the electronic properties of diamond, trans-polyacetylene and polyethylene
   E. Cannuccia, and A. Marini
   Eur. Phys. J. B 85, 320 (2012).
2. 4662 Editorial: Challenges and solutions in GW calculations for complex systems
   F. Giustino, P. Umari, and A. Rubio
   Eur. Phys. J. B 85, 319 (2012).
3. 4663 Electronic and magnetic properties of NiS2, NiSSe and NiSe2 by a combination of theoretical methods
   C. Schuster, M. Gatti, and A. Rubio
   Eur. Phys. J. B 85, 325 (2012).
4. 4664 Study of tetrabutylammonium bromide in aqueous solution by neutron scattering
   D. Bhowmik, N. Malikova, J. Teixeira, G. Meriguet, O. Bernard, P. Turq, and W. Haeussler
   Eur. Phys. J.-Spec. Top. 213, 303 (2012).
5. 4665 Hot Carrier Solar Cells: Controlling Thermalization in Ultrathin Devices
   A. Le Bris, J. Rodiere, C. Colin, S. Collin, J. -L. Pelouard, R. Esteban, M. Laroche, J. -J. Greffet, and J. -F. Guillemoles
   IEEE J. Photovolt. 2, 506 (2012).
6. 4666 Molecular Conductance in Relation to Inverse Transport Theory and to Chemical Bond Order
   D. J. Klein, and N. H. March
   Int. J. Quantum Chem. 112, 99 (2012).
7. 4667 Inertness and degradation of (0001) surface of Bi2Se3 topological insulator
   V. A. Golyashov, K. A. Kokh, S. V. Makarenko, K. N. Romanyuk, I. P. Prosvirin, A. V. Kalinkin, O. E. Tereshchenko, A. S. Kozhukhov, D. V. Sheglov, S. V. Eremeev, S. D. Borisova, and E. V. Chulkov
   J. Appl. Phys. 112, 113702 (2012).
8. 4668 Isotope effect in the superconducting high-pressure simple cubic phase of calcium from first principles
   I. Errea, B. Rousseau, and A. Bergara
   J. Appl. Phys. 111, 112604 (2012).
9. 4669 Non-adiabatic effects within a single thermally averaged potential energy surface: Thermal expansion and reaction rates of small molecules
   J. L. Alonso, A. Castro, J. Clemente-Gallardo, P. Echenique, J. J. Mazo, V. Polo, A. Rubio, and D. Zueco
   J. Chem. Phys. 137, 22A533 (2012).
10. 4670 Vibrational deexcitation and rotational excitation of H-2 and D-2 scattered from Cu(111): Adiabatic versus non-adiabatic dynamics
    A. S. Muzas, J. I. Juaristi, M. Alducin, R. Diez Muino, G. J. Kroes, and C. Diaz
    J. Chem. Phys. 137, 064707 (2012).
11. 4671 Component dynamics in polyvinylpyrrolidone concentrated aqueous solutions
    R. Busselez, A. Arbe, S. Cerveny, S. Capponi, J. Colmenero, and B. Frick
    J. Chem. Phys. 137, 084902 (2012).
12. 4672 Cluster glasses of ultrasoft particles
    D. Coslovich, M. Bernabei, and A. J. Moreno
    J. Chem. Phys. 137, 184904 (2012).
13. 4673 The extended Koopmans' theorem: Vertical ionization potentials from natural orbital functional theory
    M. Piris, J. M. Matxain, X. Lopez, and J. M. Ugalde
    J. Chem. Phys. 136, 174116 (2012).
14. 4674 Dynamical reaction pathways in Eley-Rideal recombination of nitrogen from W(100)
    E. Quintas-Sanchez, P. Larregaray, C. Crespos, L. Martin-Gondre, J. Rubayo-Soneira, and J. -C. Rayez
    J. Chem. Phys. 137, 064709 (2012).
15. 4675 Performance of PNOF5 Natural Orbital Functional for Radical Formation Reactions: Hydrogen Atom Abstraction and C-C and O-O Homolytic Bond Cleavage in Selected Molecules
    X. Lopez, F. Ruiperez, M. Piris, J. M. Matxain, E. Matito, and J. M. Ugalde
    J. Chem. Theory Comput. 8, 2646 (2012).
16. 4676 Molecular diversity, metabolic transformation, and evolution of carotenoid feather pigments in cotingas (Aves: Cotingidae)
    R. O. Prum, A. M. LaFountain, J. Berro, M. C. Stoddard, and H. A. Frank
    J. Comp. Physiol. B-Biochem. Syst. Environ. Physiol. 182, 1095 (2012).
17. 4677 Electron-pair density decomposition for core-valence separable systems
    J. Wang, Y. Wang, and J. M. Ugalde
    J. Comput. Chem. 33, 2243 (2012).
18. 4678 Lifetimes of electronic excitations in unoccupied surface states and the image potential states on Pd(110)
    S. S. Tsirkin, S. V. Eremeev, and E. V. Chulkov
    J. Exp. Theor. Phys. 115, 673 (2012).
19. 4679 Pro-oxidant activity of aluminum: Promoting the Fenton reaction by reducing Fe(III) to Fe(II)
    F. Ruiperez, J. J. Mujika, J. M. Ugalde, C. Exley, and X. Lopez
    J. Inorg. Biochem. 117, 118 (2012).
20. 4680 Spectroscopy of thulium and holmium heavily doped tellurite glasses
    H. Gebavi, D. Milanese, R. Balda, S. Taccheo, J. Fernandez, J. Lousteau, and M. Ferraris
    J. Lumines. 132, 270 (2012).