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6749 results: 6711 articles and 38 books or book chapters
Last updated: Sep 15, 2025-
6001 Density functionals from many-body perturbation theory: The band gap for semiconductors and insulators
M. Gruning, A. Marini, and A. Rubio
J. Chem. Phys. 124, 154108 (2006). -
6002 Gel to glass transition in simulation of a valence-limited colloidal system
E. Zaccarelli, I. Saika-Voivod, S. V. Buldyrev, A. J. Moreno, P. Tartaglia, and F. Sciortino
J. Chem. Phys. 124, 124908 (2006). -
6003 Low sticking probability in the nonactivated dissociation of N-2 molecules on W(110)
M. Alducin, R. Diez Muino, H. F. Busnengo, and A. Salin
J. Chem. Phys. 125, 144705 (2006). -
6004 Logarithmic relaxation in a kinetically constrained model
A. J. Moreno, and J. Colmenero
J. Chem. Phys. 125, 016101 (2006). -
6005 Water dynamics in n-propylene glycol aqueous solutions
S. Cerveny, G. A. Schwartz, A. Alegria, R. Bergman, and J. Swenson
J. Chem. Phys. 124, 194501 (2006). -
6006 Plasticizer effect on the dynamics of polyvinylchloride studied by dielectric spectroscopy and quasielastic neutron scattering
R. Zorn, M. Monkenbusch, D. Richter, A. Alegria, J. Colmenero, and B. Farago
J. Chem. Phys. 125, 154904 (2006). -
6007 Is there a higher-order mode coupling transition in polymer blends?
A. J. Moreno, and J. Colmenero
J. Chem. Phys. 124, 184906 (2006). -
6008 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). -
6009 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). -
6010 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). -
6011 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). -
6012 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). -
6013 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). -
6014 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). -
6015 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). -
6016 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). -
6017 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). -
6018 Investigation of local chain dynamics in poly(di-n-alkylitaconate)s
A. -C. Genix, and F. Laupretre
J. Non-Cryst. Solids 352, 5035 (2006). -
6019 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). -
6020 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).