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6834 results: 6796 articles and 38 books or book chapters

1. 4681 Quantum Chemical Study of the Reactions between Pd+/Pt+ and H2O/H2S
   O. Lakuntza, J. M. Matxain, F. Ruiperez, J. M. Ugalde, and P. B. Armentrout
   Chem.-Eur. J. 19, 8832 (2013).
2. 4682 Simulating Pump-Probe Photoelectron and Absorption Spectroscopy on the Attosecond Timescale with Time-Dependent Density Functional Theory
   U. De Giovannini, G. Brunetto, A. Castro, J. Walkenhorst, and A. Rubio
   ChemPhysChem 14, 1363 (2013).
3. 4683 Implementation and evaluation of the Level Set method: Towards efficient and accurate simulation of wet etching for microengineering applications
   C. Montoliu, N. Ferrando, M. A. Gosalvez, J. Cerda, and R. J. Colom
   Comput. Phys. Commun. 184, 2299 (2013).
4. 4684 Bounds on the PNOF5 natural geminal occupation numbers
   M. Piris
   Comput. Theor. Chem. 1003, 123 (2013).
5. 4685 Second-Row Transition- Metal Doping of (ZniSi), i = 12, 16 Nanoclusters: Structural and Magnetic Properties
   E. Jimenez-Izal, J. M. Matxain, M. Piris, and J. M. Ugalde
   Computation 1, 31 (2013).
6. 4686 Model for the Formation of Helium Bubbles in Palladium
   J. Alfonso Alonso, and A. Ayuela
   Croat. Chem. Acta 86, 425 (2013).
7. 4687 Neel Temperature of Antiferromagnets for Phase Transitions Driven by Spin-wave Interactions
   A. Ayuela, D. J. Klein, and N. H. March
   Croat. Chem. Acta 86, 463 (2013).
8. 4688 Low temperature red luminescence of a fluorinated Mn-doped zinc selenite
   J. Orive, R. Balda, J. Fernandez, L. Lezama, and M. I. Arriortua
   Dalton Trans. 42, 12481 (2013).
9. 4689 One-step wet chemical deposition of NiO from the electrochemical reduction of nitrates in ionic liquid based electrolytes
   E. Azaceta, Ngo Thi Tuyen , D. F. Pickup, C. Rogero, J. Enrique Ortega, O. Miguel, H. -J. Grande, and R. Tena-Zaera
   Electrochim. Acta 96, 261 (2013).
10. 4690 Effects of Localized Trap-States and Corrugation on Charge Transport in Graphene Nanoribbons
    O. Roslyak, U. Aparajita, G. Gumbs, and D. Huang
    Electronics 2, 178 (2013).
11. 4691 Energy-loss straggling of 2-10 MeV/u Kr ions in gases
    C. Vockenhuber, J. Jensen, J. Julin, H. Kettunen, M. Laitinen, M. Rossi, T. Sajavaara, O. Osmani, A. Schinner, P. Sigmund, and H. J. Whitlow
    Eur. Phys. J. D 67, 145 (2013).
12. 4692 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).
13. 4693 A natural orbital functional based on an explicit approach of the two-electron cumulant
    M. Piris
    Int. J. Quantum Chem. 113, 620 (2013).
14. 4694 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).
15. 4695 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).
16. 4696 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).
17. 4697 Pressure induced phase transitions in TiH2
    G. Gao, A. Bergara, G. Liu, and Y. Ma
    J. Appl. Phys. 113, 103512 (2013).
18. 4698 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).
19. 4699 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).
20. 4700 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).