Buscador de publicaciones

Buscar resultados

6749 results: 6711 articles and 38 books or book chapters

1. 4361 Perspective on Natural Orbital Functional Theory
   M. Piris, and J. M. Ugalde
   Int. J. Quantum Chem. 114, 1169 (2014).
2. 4362 Are There Really Cooper Pairs and Persistent Currents in Aromatic Molecules?
   R. H. Squire, N. H. March, and A. Rubio
   Int. J. Quantum Chem. 114, 437 (2014).
3. 4363 The phase equilibria in the Ag2S-Ag8GeS6-Ag8SnS6 system
   Z. M. Aliyeva, S. M. Bagheri, Z. S. Aliev, I. J. Alverdiyev, Y. A. Yusibov, and M. B. Babanly
   J. Alloy. Compd. 611, 395 (2014).
4. 4364 Photoinduced C-C Reactions on Insulators toward Photolithography of Graphene Nanoarchitectures
   C. -A. Palma, K. Diller, R. Berger, A. Welle, J. Bjork, J. L. Cabellos, D. J. Mowbray, A. C. Papageorgiou, N. P. Ivleva, S. Matich, E. Margapoti, R. Niessner, B. Menges, J. Reichert, X. Feng, H. J. Raeder, F. Klappenberger, A. Rubio, K. Muellen, and J. V. Barth, et al.
   J. Am. Chem. Soc. 136, 4651 (2014).
5. 4365 Local versus global electronic properties of chalcopyrite alloys: X-ray absorption spectroscopy and ab initio calculations
   R. Sarmiento-Perez, S. Botti, C. S. Schnohr, I. Lauermann, A. Rubio, and B. Johnson
   J. Appl. Phys. 116, 093703 (2014).
6. 4366 Dielectric spectroscopy at the nanoscale by atomic force microscopy: A simple model linking materials properties and experimental response
   L. A. Miccio, M. M. Kummali, G. A. Schwartz, A. Alegria, and J. Colmenero
   J. Appl. Phys. 115, 184305 (2014).
7. 4367 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).
8. 4368 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).
9. 4369 Two new constraints for the cumulant matrix
   E. Ramos-Cordoba, P. Salvador, M. Piris, and E. Matito
   J. Chem. Phys. 141, 234101 (2014).
10. 4370 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).
11. 4371 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).
12. 4372 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).
13. 4373 Interacting pairs in natural orbital functional theory
    M. Piris
    J. Chem. Phys. 141, 044107 (2014).
14. 4374 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).
15. 4375 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).
16. 4376 Electronic Structure Study of Singlet Fission in Tetracene Derivatives
    D. Casanova
    J. Chem. Theory Comput. 10, 324 (2014).
17. 4377 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).
18. 4378 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).
19. 4379 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).
20. 4380 How Much Tetraradical Character Is Present in the Si6Ge9 Cluster?
    D. Casanova
    J. Comput. Chem. 35, 944 (2014).