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6950 results: 6907 articles and 43 books or book chapters

1. 5041 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).
2. 5042 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).
3. 5043 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).
4. 5044 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).
5. 5045 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).
6. 5046 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).
7. 5047 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).
8. 5048 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).
9. 5049 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).
10. 5050 Cluster glasses of ultrasoft particles
    D. Coslovich, M. Bernabei, and A. J. Moreno
    J. Chem. Phys. 137, 184904 (2012).
11. 5051 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).
12. 5052 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).
13. 5053 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).
14. 5054 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).
15. 5055 Electron-pair density decomposition for core-valence separable systems
    J. Wang, Y. Wang, and J. M. Ugalde
    J. Comput. Chem. 33, 2243 (2012).
16. 5056 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).
17. 5057 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).
18. 5058 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).
19. 5059 Semiconductor nanowires self-assembled from colloidal CdTe nanocrystal building blocks: optical properties and application perspectives
    Y. P. Rakovich, F. Jaeckel, J. F. Donegan, and A. L. Rogach
    J. Mater. Chem. 22, 20831 (2012).
20. 5060 A first-principles study of II-VI (II = Zn; VI = O, S, Se, Te) semiconductor nanostructures
    J. M. Azpiroz, I. Infante, X. Lopez, J. M. Ugalde, and F. De Angelis
    J. Mater. Chem. 22, 21453 (2012).