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6546 results: 6506 articles and 40 books or book chapters

1. 4161 Vibrational lifetimes of hydrogen on lead films: An ab initio molecular dynamics with electronic friction (AIMDEF) study
   P. Saalfrank, J. I. Juaristi, M. Alducin, M. Blanco-Rey, and R. D. Muino
   J. Chem. Phys. 141, 234702 (2014).
2. 4162 Two new constraints for the cumulant matrix
   E. Ramos-Cordoba, P. Salvador, M. Piris, and E. Matito
   J. Chem. Phys. 141, 234101 (2014).
3. 4163 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).
4. 4164 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).
5. 4165 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).
6. 4166 Interacting pairs in natural orbital functional theory
   M. Piris
   J. Chem. Phys. 141, 044107 (2014).
7. 4167 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).
8. 4168 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).
9. 4169 Electronic Structure Study of Singlet Fission in Tetracene Derivatives
   D. Casanova
   J. Chem. Theory Comput. 10, 324 (2014).
10. 4170 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).
11. 4171 Nonadiabatic and Time-Resolved Photoelectron Spectroscopy for Molecular Systems
    J. Flick, H. Appel, and A. Rubio
    J. Chem. Theory Comput. 10, 1665 (2014).
12. 4172 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).
13. 4173 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).
14. 4174 How Much Tetraradical Character Is Present in the Si6Ge9 Cluster?
    D. Casanova
    J. Comput. Chem. 35, 944 (2014).
15. 4175 Formation of metal-organic interface states studied with 2PPE
    M. Marks, A. Schoell, and U. Hoefer
    J. Electron Spectrosc. Relat. Phenom. 195, 263 (2014).
16. 4176 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).
17. 4177 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).
18. 4178 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).
19. 4179 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).
20. 4180 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).