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6827 results: 6789 articles and 38 books or book chapters

1. 4921 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).
2. 4922 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).
3. 4923 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).
4. 4924 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).
5. 4925 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).
6. 4926 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).
7. 4927 Cluster glasses of ultrasoft particles
   D. Coslovich, M. Bernabei, and A. J. Moreno
   J. Chem. Phys. 137, 184904 (2012).
8. 4928 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).
9. 4929 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).
10. 4930 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).
11. 4931 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).
12. 4932 Electron-pair density decomposition for core-valence separable systems
    J. Wang, Y. Wang, and J. M. Ugalde
    J. Comput. Chem. 33, 2243 (2012).
13. 4933 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).
14. 4934 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).
15. 4935 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).
16. 4936 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).
17. 4937 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).
18. 4938 Hybrid organic/inorganic semiconductor nanostructures with highly efficient energy transfer
    D. Savateeva, D. Melnikau, V. Lesnyak, N. Gaponik, and Y. P. Rakovich
    J. Mater. Chem. 22, 10816 (2012).
19. 4939 Moments of powers of the Hulthen density
    M. L. Glasser, and I. Nagy
    J. Math. Chem. 50, 1707 (2012).
20. 4940 The Storage of Hydrogen in Nanoporous Carbons
    J. A. Alonso, I. Cabria, and M. J. Lopez
    J. Mex. Chem. Soc. 56, 261 (2012).