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6749 results: 6711 articles and 38 books or book chapters

1. 4621 The intrapair electron correlation in natural orbital functional theory
   M. Piris, J. M. Matxain, and X. Lopez
   J. Chem. Phys. 139, 234109 (2013).
2. 4622 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).
3. 4623 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).
4. 4624 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).
5. 4625 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).
6. 4626 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).
7. 4627 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).
8. 4628 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).
9. 4629 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).
10. 4630 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).
11. 4631 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).
12. 4632 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).
13. 4633 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).
14. 4634 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).
15. 4635 Non-covalent interactions - QTAIM and NBO analysis
    S. J. Grabowski
    J. Mol. Model. 19, 4713 (2013).
16. 4636 Theoretical study of the pH-dependent antioxidant properties of vitamin C
    J. I. Mujika, and J. M. Matxain
    J. Mol. Model. 19, 1945 (2013).
17. 4637 Computational study of Be-2 using Piris natural orbital functionals
    J. M. Matxain, F. Ruiperez, and M. Piris
    J. Mol. Model. 19, 1967 (2013).
18. 4638 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).
19. 4639 Influence of the partial temporal coherence of short FEL pulses on two-colour photoionization and photoinduced Auger decay of atoms
    A. K. Kazansky, I. P. Sazhina, and N. M. Kabachnik
    J. Phys. B-At. Mol. Opt. Phys. 46, 025601 (2013).
20. 4640 Photoelectron angular distributions in infrared one-photon and two-photon ionization of FEL-pumped Rydberg states of helium
    S. Mondal, H. Fukuzawa, K. Motomura, T. Tachibana, K. Nagaya, T. Sakai, K. Matsunami, S. Yase, M. Yao, S. Wada, H. Hayashita, N. Saito, C. Callegari, K. C. Prince, P. O'Keeffe, P. Bolognesi, L. Avaldi, C. Miron, M. Nagasono, T. Togashi, et al.
    J. Phys. B-At. Mol. Opt. Phys. 46, 205601 (2013).