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6763 results: 6725 articles and 38 books or book chapters

1. 4841 sp(3) Hybrid orbitals and ionization energies of methane from PNOF5
   J. M. Matxain, M. Piris, J. M. Mercero, X. Lopez, and J. M. Ugalde
   Chem. Phys. Lett. 531, 272 (2012).
2. 4842 Densely substituted unnatural L- and D-prolines as catalysts for highly enantioselective stereodivergent (3+2) cycloadditions and aldol reactions
   E. Conde, D. Bello, A. de Cozar, M. Sanchez, M. A. Vazquez, and F. P. Cossio
   Chem. Sci. 3, 1486 (2012).
3. 4843 Supramolecular Assembly of Diplatinum Species through Weak PtII center dot center dot center dot PtII Intermolecular Interactions: A Combined Experimental and Computational Study
   A. Perez Paz, L. A. Espinosa Leal, M. -R. Azani, A. Guijarro, P. J. Sanz Miguel, G. Givaja, O. Castillo, R. Mas-Balleste, F. Zamora, and A. Rubio
   Chem.-Eur. J. 18, 13787 (2012).
4. 4844 Stabilizing H-3(-): Or Are We Stabilizing a Proton?
   S. J. Grabowski, and R. Hoffmann
   ChemPhysChem 13, 2286 (2012).
5. 4845 The Nature of Chemical Bonds from PNOF5 Calculations
   J. M. Matxain, M. Piris, J. Uranga, X. Lopez, G. Merino, and J. M. Ugalde
   ChemPhysChem 13, 2297 (2012).
6. 4846 Non-covalent interactions Preface
   I. Alkorta, and S. J. Grabowski
   Comput. Theor. Chem. 998, 1 (2012).
7. 4847 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).
8. 4848 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).
9. 4849 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).
10. 4850 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).
11. 4851 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).
12. 4852 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).
13. 4853 Editorial: Challenges and solutions in GW calculations for complex systems
    F. Giustino, P. Umari, and A. Rubio
    Eur. Phys. J. B 85, 319 (2012).
14. 4854 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).
15. 4855 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).
16. 4856 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).
17. 4857 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).
18. 4858 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).
19. 4859 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).
20. 4860 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).