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6923 results: 6885 articles and 38 books or book chapters

1. 4781 Molecules with High Bond Orders and Ultrashort Bond Lengths: CrU, MoU, and WU
   F. Ruiperez, G. Merino, J. M. Ugalde, and I. Infante
   Inorg. Chem. 52, 2838 (2013).
2. 4782 A natural orbital functional based on an explicit approach of the two-electron cumulant
   M. Piris
   Int. J. Quantum Chem. 113, 620 (2013).
3. 4783 Direct Observation of the Formation of Surfactant Micelles under Nonisothermal Conditions by Synchrotron SAXS
   G. V. Jensen, R. Lund, J. Gummel, M. Monkenbusch, T. Narayanan, and J. S. Pedersen
   J. Am. Chem. Soc. 135, 7214 (2013).
4. 4784 On the Effect of a Single Solvent Molecule on the Charge-Transfer Band of a Donor-Acceptor Anion
   J. Houmoller, M. Wanko, K. Stochkel, A. Rubio, and S. B. Nielsen
   J. Am. Chem. Soc. 135, 6818 (2013).
5. 4785 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).
6. 4786 Pressure induced phase transitions in TiH2
   G. Gao, A. Bergara, G. Liu, and Y. Ma
   J. Appl. Phys. 113, 103512 (2013).
7. 4787 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).
8. 4788 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).
9. 4789 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).
10. 4790 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).
11. 4791 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).
12. 4792 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).
13. 4793 Interpair electron correlation by second-order perturbative corrections to PNOF5
    M. Piris
    J. Chem. Phys. 139, 064111 (2013).
14. 4794 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).
15. 4795 The intrapair electron correlation in natural orbital functional theory
    M. Piris, J. M. Matxain, and X. Lopez
    J. Chem. Phys. 139, 234109 (2013).
16. 4796 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).
17. 4797 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).
18. 4798 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).
19. 4799 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).
20. 4800 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).