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6819 results: 6781 articles and 38 books or book chapters

1. 4441 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. 4442 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. 4443 Interacting pairs in natural orbital functional theory
   M. Piris
   J. Chem. Phys. 141, 044107 (2014).
4. 4444 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. 4445 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. 4446 Electronic Structure Study of Singlet Fission in Tetracene Derivatives
   D. Casanova
   J. Chem. Theory Comput. 10, 324 (2014).
7. 4447 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. 4448 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).
9. 4449 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).
10. 4450 How Much Tetraradical Character Is Present in the Si6Ge9 Cluster?
    D. Casanova
    J. Comput. Chem. 35, 944 (2014).
11. 4451 Formation of metal-organic interface states studied with 2PPE
    M. Marks, A. Schoell, and U. Hoefer
    J. Electron Spectrosc. Relat. Phenom. 195, 263 (2014).
12. 4452 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).
13. 4453 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).
14. 4454 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).
15. 4455 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).
16. 4456 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).
17. 4457 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).
18. 4458 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).
19. 4459 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).
20. 4460 CdS nanoclusters doped with divalent atoms
    E. Jimenez-Izal, J. M. Azpiroz, R. Gupta, J. M. Matxain, and J. M. Ugalde
    J. Mol. Model. 20, 2227 (2014).