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6923 results: 6885 articles and 38 books or book chapters

1. 4541 The interaction of organic adsorbate vibrations with substrate lattice waves in methyl-Si(111)-(1 x 1)
   R. D. Brown, Z. M. Hund, D. Campi, L. E. O'Leary, N. S. Lewis, M. Bernasconi, G. Benedek, and S. J. Sibener
   J. Chem. Phys. 141, 024702 (2014).
2. 4542 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).
3. 4543 Two new constraints for the cumulant matrix
   E. Ramos-Cordoba, P. Salvador, M. Piris, and E. Matito
   J. Chem. Phys. 141, 234101 (2014).
4. 4544 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).
5. 4545 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).
6. 4546 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).
7. 4547 Interacting pairs in natural orbital functional theory
   M. Piris
   J. Chem. Phys. 141, 044107 (2014).
8. 4548 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).
9. 4549 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).
10. 4550 Electronic Structure Study of Singlet Fission in Tetracene Derivatives
    D. Casanova
    J. Chem. Theory Comput. 10, 324 (2014).
11. 4551 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).
12. 4552 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. 4553 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. 4554 How Much Tetraradical Character Is Present in the Si6Ge9 Cluster?
    D. Casanova
    J. Comput. Chem. 35, 944 (2014).
15. 4555 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. 4556 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. 4557 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. 4558 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. 4559 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. 4560 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).