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6574 results: 6534 articles and 40 books or book chapters

Last updated: May 14, 2025
  1. Scientific article 4441 Interpair electron correlation by second-order perturbative corrections to PNOF5
    M. Piris
    J. Chem. Phys. 139, 064111 (2013).
  2. Scientific article 4442 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).
  3. Scientific article 4443 The intrapair electron correlation in natural orbital functional theory
    M. Piris, J. M. Matxain, and X. Lopez
    J. Chem. Phys. 139, 234109 (2013).
  4. Scientific article 4444 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).
  5. Scientific article 4445 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).
  6. Scientific article 4446 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).
  7. Scientific article 4447 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).
  8. Scientific article 4448 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).
  9. Scientific article 4449 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).
  10. Scientific article 4450 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).
  11. Scientific article 4451 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).
  12. Scientific article 4452 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).
  13. Scientific article 4453 Explicit form of Pauli potential for direct derivation of pair density from a two-particle differential equation for the quintet state of four electrons with harmonic interparticle interactions
    A. Akbari, C. Amovilli, N. H. March, and A. Rubio
    J. Math. Chem. 51, 1462 (2013).
  14. Scientific article 4454 A proposed family of variationally correlated first-order density matrices for spin-polarized three-electron model atoms
    A. Akbari, N. H. March, and A. Rubio
    J. Math. Chem. 51, 763 (2013).
  15. Scientific article 4455 Level set implementation for the simulation of anisotropic etching: application to complex MEMS micromachining
    C. Montoliu, N. Ferrando, M. A. Gosalvez, J. Cerda, and R. J. Colom
    J. Micromech. Microeng. 23, 075017 (2013).
  16. Scientific article 4456 Heavy periodane
    J. M. Azpiroz, D. Moreno, A. Ramirez-Manzanares, J. M. Ugalde, M. Angel Mendez-Rojas, and G. Merino
    J. Mol. Model. 19, 1953 (2013).
  17. Scientific article 4457 Non-covalent interactions - QTAIM and NBO analysis
    S. J. Grabowski
    J. Mol. Model. 19, 4713 (2013).
  18. Scientific article 4458 Theoretical study of the pH-dependent antioxidant properties of vitamin C
    J. I. Mujika, and J. M. Matxain
    J. Mol. Model. 19, 1945 (2013).
  19. Scientific article 4459 Computational study of Be-2 using Piris natural orbital functionals
    J. M. Matxain, F. Ruiperez, and M. Piris
    J. Mol. Model. 19, 1967 (2013).
  20. Scientific article 4460 Spectroscopy and energy transfer in Nd3+/Yb3+ codoped chalcohalide glasses
    A. Miguel, B. Fan, R. Balda, X. Zhang, J. Fernandez, and J. L. Adam
    J. Non-Cryst. Solids 377, 110 (2013).
Publications on this list, in general, only include scientific articles indexed in the main collection of the Web of Science (WoS), excluding abstracts and conference proceedings.