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6819 results: 6781 articles and 38 books or book chapters

1. 4681 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. 4682 Pressure induced phase transitions in TiH2
   G. Gao, A. Bergara, G. Liu, and Y. Ma
   J. Appl. Phys. 113, 103512 (2013).
3. 4683 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. 4684 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. 4685 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. 4686 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. 4687 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. 4688 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. 4689 Interpair electron correlation by second-order perturbative corrections to PNOF5
   M. Piris
   J. Chem. Phys. 139, 064111 (2013).
10. 4690 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. 4691 The intrapair electron correlation in natural orbital functional theory
    M. Piris, J. M. Matxain, and X. Lopez
    J. Chem. Phys. 139, 234109 (2013).
12. 4692 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. 4693 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. 4694 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. 4695 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. 4696 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. 4697 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. 4698 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. 4699 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. 4700 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).