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6686 results: 6646 articles and 40 books or book chapters

1. 4541 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. 4542 A natural orbital functional based on an explicit approach of the two-electron cumulant
   M. Piris
   Int. J. Quantum Chem. 113, 620 (2013).
3. 4543 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. 4544 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. 4545 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. 4546 Pressure induced phase transitions in TiH2
   G. Gao, A. Bergara, G. Liu, and Y. Ma
   J. Appl. Phys. 113, 103512 (2013).
7. 4547 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. 4548 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. 4549 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. 4550 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. 4551 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. 4552 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. 4553 Interpair electron correlation by second-order perturbative corrections to PNOF5
    M. Piris
    J. Chem. Phys. 139, 064111 (2013).
14. 4554 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. 4555 The intrapair electron correlation in natural orbital functional theory
    M. Piris, J. M. Matxain, and X. Lopez
    J. Chem. Phys. 139, 234109 (2013).
16. 4556 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. 4557 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. 4558 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. 4559 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. 4560 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).