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6643 results: 6603 articles and 40 books or book chapters

1. 4261 Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111)
   G. -J. Kroes, M. Pavanello, M. Blanco-Rey, M. Alducin, and D. J. Auerbach
   J. Chem. Phys. 141, 054705 (2014).
2. 4262 Quasi-particle energy spectra in local reduced density matrix functional theory
   N. N. Lathiotakis, N. Helbig, A. Rubio, and N. I. Gidopoulos
   J. Chem. Phys. 141, 164120 (2014).
3. 4263 Interacting pairs in natural orbital functional theory
   M. Piris
   J. Chem. Phys. 141, 044107 (2014).
4. 4264 Dielectric spectra broadening as a signature for dipole-matrix interaction. IV. Water in amino acids solutions
   E. Levy, S. Cerveny, I. Ermolina, A. Puzenko, and Y. Feldman
   J. Chem. Phys. 140, 135104 (2014).
5. 4265 Benchmark Assessment of Density Functional Methods on Group II-VI MX (M = Zn, Cd; X = S, Se, Te) Quantum Dots
   J. M. Azpiroz, J. M. Ugalde, and I. Infante
   J. Chem. Theory Comput. 10, 76 (2014).
6. 4266 Electronic Structure Study of Singlet Fission in Tetracene Derivatives
   D. Casanova
   J. Chem. Theory Comput. 10, 324 (2014).
7. 4267 New Approximation to the Third-Order Density. Application to the Calculation of Correlated Multicenter Indices
   F. Feixas, M. Sola, J. M. Barroso, J. M. Ugalde, and E. Matito
   J. Chem. Theory Comput. 10, 3055 (2014).
8. 4268 Nonadiabatic and Time-Resolved Photoelectron Spectroscopy for Molecular Systems
   J. Flick, H. Appel, and A. Rubio
   J. Chem. Theory Comput. 10, 1665 (2014).
9. 4269 Quasiparticle Level Alignment for Photocatalytic Interfaces
   A. Migani, D. J. Mowbray, J. Zhao, H. Petek, and A. Rubio
   J. Chem. Theory Comput. 10, 2103 (2014).
10. 4270 A Survey of the Parallel Performance and Accuracy of Poisson Solvers for Electronic Structure Calculations
    P. Garcia-Risueno, J. Alberdi-Rodriguez, M. J. T. Oliveira, X. Andrade, M. Pippig, J. Muguerza, A. Arruabarrena, and A. Rubio
    J. Comput. Chem. 35, 427 (2014).
11. 4271 How Much Tetraradical Character Is Present in the Si6Ge9 Cluster?
    D. Casanova
    J. Comput. Chem. 35, 944 (2014).
12. 4272 Formation of metal-organic interface states studied with 2PPE
    M. Marks, A. Schoell, and U. Hoefer
    J. Electron Spectrosc. Relat. Phenom. 195, 263 (2014).
13. 4273 Electron dynamics of unoccupied states in topological insulators
    D. Niesner, S. Otto, T. Fauster, E. V. Chulkov, S. V. Eremeev, O. E. Tereshchenko, and K. A. Kokh
    J. Electron Spectrosc. Relat. Phenom. 195, 258 (2014).
14. 4274 Unoccupied electronic structure and relaxation dynamics of Pb/Si(111)
    M. Sandhofer, I. Y. Sklyadneva, V. Sharma, V. M. Trontl, P. Zhou, M. Ligges, R. Heid, K. -P. Bohnen, E. V. Chulkov, and U. Bovensiepen
    J. Electron Spectrosc. Relat. Phenom. 195, 278 (2014).
15. 4275 Structural, optical, and spectroscopic properties of Er3+-doped TeO2-ZnO-ZnF2 glass-ceramics
    A. Miguel, R. Morea, M. A. Arriandiaga, M. Hernandez, F. J. Ferrer, C. Domingo, J. M. Fernandez-Navarro, J. Gonzalo, J. Fernandez, and R. Balda
    J. Eur. Ceram. Soc. 34, 3959 (2014).
16. 4276 Effect of Tm3+ codoping on the near-infrared and upconversion emissions of Er3+ in TeO2-ZnO-ZnF2 glasses
    A. Miguel, M. A. Arriandiaga, R. Morea, J. Fernandez, J. Gonzalo, and R. Balda
    J. Lumines. 154, 136 (2014).
17. 4277 Whispering gallery mode emission from a composite system of J-aggregates and photonic microcavity
    D. Melnikau, D. Savateeva, K. I. Rusakov, and Y. P. Rakovich
    J. Lumines. 145, 138 (2014).
18. 4278 Structural, electronic and magnetic properties of ConPtM-n for M=13, 19, and 55, from first principles
    J. M. Montejano-Carrizales, F. Aguilera-Granja, C. Goyhenex, V. Pierron-Bohnes, and J. L. Moran-Lopez
    J. Magn. Magn. Mater. 355, 215 (2014).
19. 4279 Resistive switching dependence on atomic layer deposition parameters in HfO2-based memory devices
    R. Zazpe, M. Ungureanu, F. Golmar, P. Stoliar, R. Llopis, F. Casanova, D. F. Pickup, C. Rogero, and L. E. Hueso
    J. Mater. Chem. C 2, 3204 (2014).
20. 4280 Anisotropic etching on Si110: experiment and simulation for the formation of microstructures with convex corners
    P. Pal, M. A. Gosalvez, K. Sato, H. Hida, and Y. Xing
    J. Micromech. Microeng. 24, 125001 (2014).