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6542 results: 6502 articles and 40 books or book chapters

1. 4401 Level Alignment of a Prototypical Photocatalytic System: Methanol on TiO2(110)
   A. Migani, D. J. Mowbray, A. Iacomino, J. Zhao, H. Petek, and A. Rubio
   J. Am. Chem. Soc. 135, 11429 (2013).
2. 4402 Pressure induced phase transitions in TiH2
   G. Gao, A. Bergara, G. Liu, and Y. Ma
   J. Appl. Phys. 113, 103512 (2013).
3. 4403 Structural and electronic properties of Ni26-pXp clusters (X = Pd, Pt): A density-functional-theoretic study
   F. Aguilera-Granja, and L. J. Gallego
   J. Appl. Phys. 114, 054311 (2013).
4. 4404 Modeling the collective relaxation time of glass-forming polymers at intermediate length scales: Application to polyisobutylene
   J. Colmenero, F. Alvarez, Y. Khairy, and A. Arbe
   J. Chem. Phys. 139, 044906 (2013).
5. 4405 Electronic structure of Fe- vs. Ru-based dye molecules
   P. S. Johnson, P. L. Cook, I. Zegkinoglou, J. M. Garcia-Lastra, A. Rubio, R. E. Ruther, R. J. Hamers, and F. J. Himpsel
   J. Chem. Phys. 138, 044709 (2013).
6. 4406 Electronic spectroscopy and electronic structure of diatomic IrSi
   M. A. Garcia, C. Vietz, F. Ruiperez, M. D. Morse, and I. Infante
   J. Chem. Phys. 138, 154306 (2013).
7. 4407 Comment on "Unified explanation of the anomalous dynamic properties ofhighly asymmetric polymer blends'' [J. Chem. Phys. 138, 054903(2013)]
   J. Colmenero
   J. Chem. Phys. 138, 197101 (2013).
8. 4408 Communication: Chemical bonding in carbon dimer isovalent series from the natural orbital functional theory perspective
   J. M. Matxain, F. Ruiperez, I. Infante, X. Lopez, J. M. Ugalde, G. Merino, and M. Piris
   J. Chem. Phys. 138, 151102 (2013).
9. 4409 Interpair electron correlation by second-order perturbative corrections to PNOF5
   M. Piris
   J. Chem. Phys. 139, 064111 (2013).
10. 4410 Room temperature compressibility and diffusivity of liquid water from first principles
    F. Corsetti, E. Artacho, J. M. Soler, S. S. Alexandre, and M. -V. Fernandez-Serra
    J. Chem. Phys. 139, 194502 (2013).
11. 4411 The intrapair electron correlation in natural orbital functional theory
    M. Piris, J. M. Matxain, and X. Lopez
    J. Chem. Phys. 139, 234109 (2013).
12. 4412 Cause of the fragile-to-strong transition observed in water confined in C-S-H gel
    M. Monasterio, H. Jansson, J. J. Gaitero, J. S. Dolado, and S. Cerveny
    J. Chem. Phys. 139, 164714 (2013).
13. 4413 Determination of the surface structure of CeO2(111) by low-energy electron diffraction
    D. A. Siegel, W. C. Chueh, F. El Gabaly, K. F. McCarty, J. de la Figuera, and M. Blanco-Rey
    J. Chem. Phys. 139, 114703 (2013).
14. 4414 On the interactions between poly(ethylene oxide) and graphite oxide: A comparative study by different computational methods
    I. Garcia-Yoldi, F. Alvarez, and J. Colmenero
    J. Chem. Phys. 138, 094308 (2013).
15. 4415 Design of solar cell materials via soft X-ray spectroscopy
    F. J. Himpsel, P. L. Cook, G. de la Torre, J. M. Garcia-Lastra, R. Gonzalez-Moreno, J. -H. Guo, R. J. Hamers, C. X. Kronawitter, P. S. Johnson, J. E. Ortega, D. Pickup, M. -E. Ragoussi, C. Rogero, A. Rubio, R. E. Ruther, L. Vayssieres, W. Yang, and I. Zegkinoglou
    J. Electron Spectrosc. Relat. Phenom. 190, 2 (2013).
16. 4416 Theoretical study of influencing factors on the dispersion of bulk band-gap edges and the surface states in topological insulators Bi2Te3 and Bi2Se3
    I. P. Rusinov, I. A. Nechaev, and E. V. Chulkov
    J. Exp. Theor. Phys. 116, 1006 (2013).
17. 4417 Formation of the OOH center dot radical at steps of the boehmite surface and its inhibition by gallic acid: A theoretical study including DFT-based dynamics
    T. Ribeiro, A. Motta, P. Marcus, M. -P. Gaigeot, X. Lopez, and D. Costa
    J. Inorg. Biochem. 128, 164 (2013).
18. 4418 Near-infrared emission and upconversion in Er3+-doped TeO2-ZnO-ZnF2 glasses
    A. Miguel, R. Morea, J. Gonzalo, M. A. Arriandiaga, J. Fernandez, and R. Balda
    J. Lumines. 140, 38 (2013).
19. 4419 Atomic and electronic properties of quasi-one-dimensional MoS2 nanowires
    L. Fernandez Seivane, H. Barron, S. Botti, M. A. L. Marques, A. Rubio, and X. Lopez-Lozano
    J. Mater. Res. 28, 240 (2013).
20. 4420 Theory and phenomenology for a variety of classical and quantum phase transitions
    N. H. March, and Z. D. Zhang
    J. Math. Chem. 51, 1694 (2013).