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6643 results: 6603 articles and 40 books or book chapters

1. 5901 Beyond time-dependent exact exchange: The need for long-range correlation
   F. Bruneval, F. Sottile, V. Olevano, and L. Reining
   J. Chem. Phys. 124, 144113 (2006).
2. 5902 Non-Gaussian energy landscape of a simple model for strong network-forming liquids: Accurate evaluation of the configurational entropy
   A. J. Moreno, I. Saika-Voivod, E. Zaccarelli, E. La Nave, S. V. Buldyrev, P. Tartaglia, and F. Sciortino
   J. Chem. Phys. 124, 204509 (2006).
3. 5903 Photoabsorption spectra of Ti8C12 metallocarbohedrynes: Theoretical spectroscopy within time-dependent density functional theory
   J. I. Martinez, A. Castro, A. Rubio, and J. A. Alonso
   J. Chem. Phys. 125, 074311 (2006).
4. 5904 Electronic structure and excitations in oligoacenes from ab initio calculations
   E. S. Kadantsev, M. J. Stott, and A. Rubio
   J. Chem. Phys. 124, 134901 (2006).
5. 5905 Electronic structure of C-60 on Au(887)
   F. Schiller, M. Ruiz-Oses, J. E. Ortega, P. Segovia, J. Martinez-Blanco, B. P. Doyle, V. Perez-Dieste, J. Lobo, N. Neel, R. Berndt, and J. Kroeger
   J. Chem. Phys. 125, 144719 (2006).
6. 5906 Optical absorption spectra of V-4(+) isomers: One example of first-principles theoretical spectroscopy with time-dependent density functional theory
   J. I. Martinez, A. Castro, A. Rubio, and J. A. Alonso
   J. Comput. Theor. Nanosci. 3, 761 (2006).
7. 5907 A study of the coordination shell of aluminum(III) and magnesium(II) in model protein of the complex formation and environments: Thermodynamics metal exchange reactions
   E. Rezabal, J. M. Mercero, X. Lopez, and J. M. Ugalde
   J. Inorg. Biochem. 100, 374 (2006).
8. 5908 Molecular motions in glassy polycarbonate below its glass transition temperature
   S. Arrese-Igor, O. Mitxelena, A. Arbe, A. Alegria, J. Colmenero, and B. Frick
   J. Non-Cryst. Solids 352, 5072 (2006).
9. 5909 Site selective spectroscopy of Eu3+ in heavy-metal oxide glasses
   C. Cascales, R. Balda, J. Fernandez, M. A. Arriandiaga, and J. M. Fdez-Navarro
   J. Non-Cryst. Solids 352, 2448 (2006).
10. 5910 Spectroscopic properties of Yb3+ ions in halogeno-sulfide glasses
    R. Balda, V. Seznec, V. Nazabal, J. -L. Adam, M. Al-Saleh, and J. Fernandez
    J. Non-Cryst. Solids 352, 2444 (2006).
11. 5911 Investigation of local chain dynamics in poly(di-n-alkylitaconate)s
    A. -C. Genix, and F. Laupretre
    J. Non-Cryst. Solids 352, 5035 (2006).
12. 5912 Hydrogen dynamics in polyethersulfone: A quasielastic neutron scattering study in the high-momentum transfer region
    I. Quintana, A. Arbe, J. Colmenero, and B. Frick
    J. Non-Cryst. Solids 352, 4610 (2006).
13. 5913 Surface magnetic behavior and microstructures of ferromagnetic(Co77Si13.5B9.5)(90)Fe7Nb3 ribbons
    L. Fernandez, A. Chizhik, N. Iturriza, J. J. Del Val, and J. Gonzalez
    J. Optoelectron. Adv. Mater. 8, 1698 (2006).
14. 5914 Soft magnetic behaviour of nanocrystalline Fe-based glass-coated microwires
    C. Garcia, A. Zhukov, M. Ipatov, V. Zhukova, J. J. Del Val, L. Dominguez, J. M. Blanco, V. Larin, and J. Gonzalez
    J. Optoelectron. Adv. Mater. 8, 1667 (2006).
15. 5915 Dirac density matrix and the Legendre transform of the kinetic energy generated by one-dimensional model potentials
    I. A. Howard, and N. H. March
    J. Phys. A-Math. Gen. 39, 565 (2006).
16. 5916 Water adsorption and diffusion on NaCl(100)
    P. Cabrera-Sanfelix, A. Arnau, G. R. Darling, and D. Sanchez-Portal
    J. Phys. Chem. B 110, 24559 (2006).
17. 5917 Self-assembly of heterogeneous supramolecular structures with uniaxial anisotropy
    M. Ruiz-Oses, N. Gonzalez-Lakunza, I. Silanes, A. Gourdon, A. Arnau, and J. E. Ortega
    J. Phys. Chem. B 110, 25573 (2006).
18. 5918 Reaction mechanism of the acidic hydrolysis of highly twisted amides: Rate acceleration caused by the twist of the amide bond
    J. I. Mujika, E. Formoso, J. M. Mercero, and X. Lopez
    J. Phys. Chem. B 110, 15000 (2006).
19. 5919 A TDDFT study of the excited states of DNA bases and their assemblies
    D. Varsano, R. Di Felice, M. A. L. Marques, and A. Rubio
    J. Phys. Chem. B 110, 7129 (2006).
20. 5920 Pressure induced metallization of Germane
    M. Martinez-Canales, A. Bergara, J. Feng, and W. Grochala
    J. Phys. Chem. Solids 67, 2095 (2006).