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7309 results: 7249 articles and 60 books or book chapters

1. 5181 The intrapair electron correlation in natural orbital functional theory
   M. Piris, J. M. Matxain, and X. Lopez
   J. Chem. Phys. 139, 234109 (2013).
2. 5182 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. 5183 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. 5184 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. 5185 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. 5186 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. 5187 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. 5188 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. 5189 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. 5190 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. 5191 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. 5192 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. 5193 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. 5194 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. 5195 Non-covalent interactions - QTAIM and NBO analysis
    S. J. Grabowski
    J. Mol. Model. 19, 4713 (2013).
16. 5196 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. 5197 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. 5198 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. 5199 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. 5200 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).