Search publications

Search results

7294 results: 7234 articles and 60 books or book chapters

1. 5381 Normalization of the Gaussian binning trajectory method for indirect reactions
   L. Bonnet, P. Larregaray, W. Arbelo-Gonzalez, and M. de Castro-Vitores
   Comput. Theor. Chem. 990, 30 (2012).
2. 5382 The strength of frustration and quantum fluctuations in LiVCuO4
   S. Nishimoto, S. -L. Drechsler, R. Kuzian, J. Richter, J. Malek, M. Schmitt, J. van den Brink, and H. Rosner
   EPL 98, 37007 (2012).
3. 5383 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).
4. 5384 Editorial: Challenges and solutions in GW calculations for complex systems
   F. Giustino, P. Umari, and A. Rubio
   Eur. Phys. J. B 85, 319 (2012).
5. 5385 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).
6. 5386 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).
7. 5387 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).
8. 5388 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).
9. 5389 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).
10. 5390 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).
11. 5391 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).
12. 5392 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).
13. 5393 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).
14. 5394 Cluster glasses of ultrasoft particles
    D. Coslovich, M. Bernabei, and A. J. Moreno
    J. Chem. Phys. 137, 184904 (2012).
15. 5395 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).
16. 5396 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).
17. 5397 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).
18. 5398 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).
19. 5399 Electron-pair density decomposition for core-valence separable systems
    J. Wang, Y. Wang, and J. M. Ugalde
    J. Comput. Chem. 33, 2243 (2012).
20. 5400 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).