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6542 results: 6502 articles and 40 books or book chapters
Last updated: 2025/04/22-
4381 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). -
4382 sigma-Hole Bond Versus Hydrogen Bond: From Tetravalent to Pentavalent N, P, and As Atoms
S. J. Grabowski
Chem.-Eur. J. 19, 14600 (2013). -
4383 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). -
4384 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). -
4385 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). -
4386 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). -
4387 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). -
4388 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). -
4389 Bounds on the PNOF5 natural geminal occupation numbers
M. Piris
Comput. Theor. Chem. 1003, 123 (2013). -
4390 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). -
4391 Model for the Formation of Helium Bubbles in Palladium
J. Alfonso Alonso, and A. Ayuela
Croat. Chem. Acta 86, 425 (2013). -
4392 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). -
4393 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). -
4394 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). -
4395 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). -
4396 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). -
4397 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). -
4398 A natural orbital functional based on an explicit approach of the two-electron cumulant
M. Piris
Int. J. Quantum Chem. 113, 620 (2013). -
4399 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). -
4400 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).