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6572 results: 6532 articles and 40 books or book chapters
Last updated: Apr 22, 2025-
5141 Modelling non-adiabatic processes using correlated electron-ion dynamics
E. J. McEniry, Y. Wang, D. Dundas, T. N. Todorov, L. Stella, R. P. Miranda, A. J. Fisher, A. P. Horsfield, C. P. Race, D. R. Mason, W. M. C. Foulkes, and A. P. Sutton
Eur. Phys. J. B 77, 305 (2010). -
5142 Electronic structure and excitations on clean and nanostructured metal surfaces
E. V. Chulkov, A. Zugarramurdi, S. S. Tsirkin, X. Zubizarreta, I. A. Nechaev, I. Y. Sklyadneva, and S. V. Eremeev
Eur. Phys. J. B 75, 37 (2010). -
5143 Dielectric properties of thin insulating layers measured by Electrostatic Force Microscopy
C. Riedel, R. Arinero, P. Tordjeman, M. Ramonda, G. Leveque, G. A. Schwartz, D. G. de Oteyza, A. Alegria, and J. Colmenero
Eur. Phys. J.-Appl. Phys 50, 10501 (2010). -
5144 PDMS behaviour under confinement in strongly segregated mesophases of PS-PDMS diblock copolymers
L. del Valle-Carrandi, A. Alegria, and J. Colmenero
Eur. Phys. J.-Spec. Top. 189, 257 (2010). -
5145 Chemical sensing based on the plasmonic response of nanoparticle aggregation: Anion sensing in nanoparticles stabilized by amino-functional ionic liquid
A. Garcia-Etxarri, J. Aizpurua, J. Molina-Aldareguia, R. Marcilla, J. Adolfo Pomposo, and D. Mecerreyes
Front. Phys. China 5, 330 (2010). -
5146 U and P-4 Reaction Products: A Quantum Chemical and Matrix Isolation Spectroscopic Investigation
B. Vlaisavljevich, L. Gagliardi, X. Wang, B. Liang, L. Andrews, and I. Infante
Inorg. Chem. 49, 9230 (2010). -
5147 AB INITIO APPROACH TO STRUCTURAL, ELECTRONIC AND OPTICAL PROPERTIES OF B-, C- AND N-DOPED ANATASE
V. P. Zhukov, V. M. Zainullina, and E. V. Chulkov
Int. J. Mod. Phys. B 24, 6049 (2010). -
5148 The magnetic moments and their long-range ordering for Fe atoms in a wide variety of metallic environments
A. Ayuela, and N. H. March
Int. J. Quantum Chem. 110, 2725 (2010). -
5149 Energy bands, conductance, and thermoelectric power for ballistic electrons in a nanowire with spin-orbit interaction
G. Gumbs, A. Balassis, and D. Huang
J. Appl. Phys. 108, 093704 (2010). -
5150 Communication: The role of the positivity N-representability conditions in natural orbital functional theory
M. Piris, J. M. Matxain, X. Lopez, and J. M. Ugalde
J. Chem. Phys. 133, 111101 (2010). -
5151 Copper-phthalocyanine based metal-organic interfaces: The effect of fluorination, the substrate, and its symmetry
D. G. de Oteyza, A. El-Sayed, J. M. Garcia-Lastra, E. Goiri, T. N. Krauss, A. Turak, E. Barrena, H. Dosch, J. Zegenhagen, A. Rubio, Y. Wakayama, and J. E. Ortega
J. Chem. Phys. 133, 214703 (2010). -
5152 Optical to ultraviolet spectra of sandwiches of benzene and transition metal atoms: Time dependent density functional theory and many-body calculations
J. I. Martinez, J. M. Garcia-Lastra, M. J. Lopez, and J. A. Alonso
J. Chem. Phys. 132, 044314 (2010). -
5153 Chain dynamics of poly(ethylene-alt-propylene) melts by means of coarse-grained simulations based on atomistic molecular dynamics
R. Perez-Aparicio, J. Colmenero, F. Alvarez, J. T. Padding, and W. J. Briels
J. Chem. Phys. 132, 024904 (2010). -
5154 Time-dependent density functional approach for the calculation of inelastic x-ray scattering spectra of molecules
A. Sakko, A. Rubio, M. Hakala, and K. Hamalainen
J. Chem. Phys. 133, 174111 (2010). -
5155 Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids
F. D. Vila, D. A. Strubbe, Y. Takimoto, X. Andrade, A. Rubio, S. G. Louie, and J. J. Rehr
J. Chem. Phys. 133, 034111 (2010). -
5156 Quantum Monte Carlo study of the ground state and low-lying excitedstates of the scandium dimer (vol 128, 194315, 2008)
J. M. Matxain, E. Rezabal, X. Lopez, J. M. Ugalde, and L. Gagliardi
J. Chem. Phys. 132, 139901 (2010). -
5157 Communications: Accurate description of atoms and molecules by natural orbital functional theory
M. Piris, J. M. Matxain, X. Lopez, and J. M. Ugalde
J. Chem. Phys. 132, 031103 (2010). -
5158 Size consistency of explicit functionals of the natural orbitals in reduced density matrix functional theory
N. N. Lathiotakis, N. I. Gidopoulos, and N. Helbig
J. Chem. Phys. 132, 084105 (2010). -
5159 Communication: Systematic shifts of the lowest unoccupied molecular orbital peak in x-ray absorption for a series of 3d metal porphyrins
J. M. Garcia-Lastra, P. L. Cook, F. J. Himpsel, and A. Rubio
J. Chem. Phys. 133, 151103 (2010). -
5160 Attenuation of excited electrons at crystal surfaces
I. Bartos, and E. E. Krasovskii
J. Electron Spectrosc. Relat. Phenom. 180, 66 (2010).