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6918 results: 6880 articles and 38 books or book chapters

1. 5001 Non-covalent interactions Preface
   I. Alkorta, and S. J. Grabowski
   Comput. Theor. Chem. 998, 1 (2012).
2. 5002 Non-covalent interactions in NH4+center dot center dot center dot(C2H2)(n) ammonium cation-acetylene
   S. J. Grabowski
   Comput. Theor. Chem. 992, 70 (2012).
3. 5003 Classical dynamics study of atomic oxygen over graphite (0001) with new interpolated and analytical potential energy surfaces
   V. Moron, L. Martin-Gondre, C. Crespos, P. Larregaray, P. Gamallo, and R. Sayos
   Comput. Theor. Chem. 990, 132 (2012).
4. 5004 Energy dissipation channels in the adsorption of N on Ag(111)
   L. Martin-Gondre, G. A. Bocan, M. Alducin, J. I. Juaristi, and R. Diez Muino
   Comput. Theor. Chem. 990, 126 (2012).
5. 5005 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).
6. 5006 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).
7. 5007 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).
8. 5008 Editorial: Challenges and solutions in GW calculations for complex systems
   F. Giustino, P. Umari, and A. Rubio
   Eur. Phys. J. B 85, 319 (2012).
9. 5009 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).
10. 5010 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).
11. 5011 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).
12. 5012 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).
13. 5013 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).
14. 5014 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).
15. 5015 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).
16. 5016 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).
17. 5017 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).
18. 5018 Cluster glasses of ultrasoft particles
    D. Coslovich, M. Bernabei, and A. J. Moreno
    J. Chem. Phys. 137, 184904 (2012).
19. 5019 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).
20. 5020 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).