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6741 results: 6703 articles and 38 books or book chapters

1. 4361 Two new constraints for the cumulant matrix
   E. Ramos-Cordoba, P. Salvador, M. Piris, and E. Matito
   J. Chem. Phys. 141, 234101 (2014).
2. 4362 Second-order perturbative corrections to the restricted active space configuration interaction with the hole and particle approach
   D. Casanova
   J. Chem. Phys. 140, 144111 (2014).
3. 4363 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).
4. 4364 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).
5. 4365 Interacting pairs in natural orbital functional theory
   M. Piris
   J. Chem. Phys. 141, 044107 (2014).
6. 4366 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).
7. 4367 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).
8. 4368 Electronic Structure Study of Singlet Fission in Tetracene Derivatives
   D. Casanova
   J. Chem. Theory Comput. 10, 324 (2014).
9. 4369 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).
10. 4370 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).
11. 4371 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).
12. 4372 How Much Tetraradical Character Is Present in the Si6Ge9 Cluster?
    D. Casanova
    J. Comput. Chem. 35, 944 (2014).
13. 4373 Formation of metal-organic interface states studied with 2PPE
    M. Marks, A. Schoell, and U. Hoefer
    J. Electron Spectrosc. Relat. Phenom. 195, 263 (2014).
14. 4374 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).
15. 4375 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).
16. 4376 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).
17. 4377 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).
18. 4378 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).
19. 4379 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).
20. 4380 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).