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6763 results: 6725 articles and 38 books or book chapters

1. 4621 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. 4622 A natural orbital functional based on an explicit approach of the two-electron cumulant
   M. Piris
   Int. J. Quantum Chem. 113, 620 (2013).
3. 4623 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. 4624 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. 4625 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. 4626 Pressure induced phase transitions in TiH2
   G. Gao, A. Bergara, G. Liu, and Y. Ma
   J. Appl. Phys. 113, 103512 (2013).
7. 4627 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. 4628 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. 4629 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. 4630 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. 4631 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. 4632 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. 4633 Interpair electron correlation by second-order perturbative corrections to PNOF5
    M. Piris
    J. Chem. Phys. 139, 064111 (2013).
14. 4634 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. 4635 The intrapair electron correlation in natural orbital functional theory
    M. Piris, J. M. Matxain, and X. Lopez
    J. Chem. Phys. 139, 234109 (2013).
16. 4636 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. 4637 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. 4638 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. 4639 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. 4640 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).