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6839 results: 6801 articles and 38 books or book chapters

1. 4681 Suitability of amorphous TiO2 nanoparticles as a photoelectrode in dye sensitized solar cells: A DFT-TDDFT study
   R. D. Eithiraj, and K. R. Geethalakshmi
   Chem. Phys. Lett. 585, 138 (2013).
2. 4682 sigma-Hole Bond Versus Hydrogen Bond: From Tetravalent to Pentavalent N, P, and As Atoms
   S. J. Grabowski
   Chem.-Eur. J. 19, 14600 (2013).
3. 4683 Computational Study on the Attack of (OH)-O-center dot Radicals on Aromatic Amino Acids
   J. I. Mujika, J. Uranga, and J. M. Matxain
   Chem.-Eur. J. 19, 6862 (2013).
4. 4684 The Isolation of Single MMX Chains from Solution: Unravelling the Assembly-Disassembly Process
   M. -R. Azani, A. Perez Paz, C. Hermosa, G. Givaja, J. Gomez-Herrero, R. Mas-Balleste, F. Zamora, and A. Rubio
   Chem.-Eur. J. 19, 15518 (2013).
5. 4685 Aggregation and Cooperative Effects in the Aldol Reactions of Lithium Enolates
   O. Larranaga, A. de Cozar, F. M. Bickelhaupt, R. Zangi, and F. P. Cossio
   Chem.-Eur. J. 19, 13761 (2013).
6. 4686 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).
7. 4687 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).
8. 4688 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).
9. 4689 Bounds on the PNOF5 natural geminal occupation numbers
   M. Piris
   Comput. Theor. Chem. 1003, 123 (2013).
10. 4690 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).
11. 4691 Model for the Formation of Helium Bubbles in Palladium
    J. Alfonso Alonso, and A. Ayuela
    Croat. Chem. Acta 86, 425 (2013).
12. 4692 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).
13. 4693 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).
14. 4694 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).
15. 4695 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).
16. 4696 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).
17. 4697 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).
18. 4698 A natural orbital functional based on an explicit approach of the two-electron cumulant
    M. Piris
    Int. J. Quantum Chem. 113, 620 (2013).
19. 4699 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).
20. 4700 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).