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6950 results: 6907 articles and 43 books or book chapters

1. 4561 Hole-Phonon Relaxation and Photocatalytic Properties of Titanium Dioxide and Zinc Oxide: First-Principles Approach
   V. P. Zhukov, V. G. Tyuterev, E. V. Chulkov, and P. M. Echenique
   Int. J. Photoenergy 2014, 738921 (2014).
2. 4562 Perspective on Natural Orbital Functional Theory
   M. Piris, and J. M. Ugalde
   Int. J. Quantum Chem. 114, 1169 (2014).
3. 4563 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).
4. 4564 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).
5. 4565 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).
6. 4566 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).
7. 4567 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).
8. 4568 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).
9. 4569 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).
10. 4570 Two new constraints for the cumulant matrix
    E. Ramos-Cordoba, P. Salvador, M. Piris, and E. Matito
    J. Chem. Phys. 141, 234101 (2014).
11. 4571 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).
12. 4572 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).
13. 4573 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).
14. 4574 Interacting pairs in natural orbital functional theory
    M. Piris
    J. Chem. Phys. 141, 044107 (2014).
15. 4575 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).
16. 4576 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).
17. 4577 Electronic Structure Study of Singlet Fission in Tetracene Derivatives
    D. Casanova
    J. Chem. Theory Comput. 10, 324 (2014).
18. 4578 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).
19. 4579 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).
20. 4580 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).