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6838 results: 6800 articles and 38 books or book chapters

1. 4461 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).
2. 4462 Interacting pairs in natural orbital functional theory
   M. Piris
   J. Chem. Phys. 141, 044107 (2014).
3. 4463 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).
4. 4464 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).
5. 4465 Electronic Structure Study of Singlet Fission in Tetracene Derivatives
   D. Casanova
   J. Chem. Theory Comput. 10, 324 (2014).
6. 4466 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).
7. 4467 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).
8. 4468 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).
9. 4469 How Much Tetraradical Character Is Present in the Si6Ge9 Cluster?
   D. Casanova
   J. Comput. Chem. 35, 944 (2014).
10. 4470 Formation of metal-organic interface states studied with 2PPE
    M. Marks, A. Schoell, and U. Hoefer
    J. Electron Spectrosc. Relat. Phenom. 195, 263 (2014).
11. 4471 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).
12. 4472 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).
13. 4473 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).
14. 4474 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).
15. 4475 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).
16. 4476 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).
17. 4477 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).
18. 4478 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).
19. 4479 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).
20. 4480 Spin-orbit effects on the structural, homotop, and magnetic configurations of small pure and Fe-doped Pt clusters
    P. G. Alvarado-Leyva, F. Aguilera-Granja, A. Garcia-Fuente, and A. Vega
    J. Nanopart. Res. 16, 2222 (2014).