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7397 results: 7337 articles and 60 books or book chapters

1. 5021 Interacting pairs in natural orbital functional theory
   M. Piris
   J. Chem. Phys. 141, 044107 (2014).
2. 5022 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).
3. 5023 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).
4. 5024 Electronic Structure Study of Singlet Fission in Tetracene Derivatives
   D. Casanova
   J. Chem. Theory Comput. 10, 324 (2014).
5. 5025 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).
6. 5026 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).
7. 5027 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).
8. 5028 How Much Tetraradical Character Is Present in the Si6Ge9 Cluster?
   D. Casanova
   J. Comput. Chem. 35, 944 (2014).
9. 5029 Formation of metal-organic interface states studied with 2PPE
   M. Marks, A. Schoell, and U. Hoefer
   J. Electron Spectrosc. Relat. Phenom. 195, 263 (2014).
10. 5030 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).
11. 5031 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).
12. 5032 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).
13. 5033 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).
14. 5034 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).
15. 5035 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).
16. 5036 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).
17. 5037 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).
18. 5038 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).
19. 5039 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).
20. 5040 Carbo-Cages: A Computational Study
    J. M. Azpiroz, R. Islas, D. Moreno, M. A. Fernandez-Herrera, S. Pan, P. K. Chattaraj, G. Martinez-Guajardo, J. M. Ugalde, and G. Merino
    J. Org. Chem. 79, 5463 (2014).