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6817 results: 6779 articles and 38 books or book chapters
Last updated: 2025/10/20-
5141 Time-dependent density-functional and reduced density-matrix methods for few electrons: Exact versus adiabatic approximations
N. Helbig, J. I. Fuks, I. V. Tokatly, H. Appel, E. K. U. Gross, and A. Rubio
Chem. Phys. 391, 1 (2011). -
5142 Assessment of dressed time-dependent density-functional theory for the low-lying valence states of 28 organic chromophores
M. Huix-Rotllant, A. Ipatov, A. Rubio, and M. E. Casida
Chem. Phys. 391, 120 (2011). -
5143 Rotational dynamics of propylene in ZSM-5 zeolitic frameworks
S. Gautam, V. K. Sharma, S. Mitra, S. L. Chaplot, and R. Mukhopadhyay
Chem. Phys. Lett. 501, 345 (2011). -
5144 What Is the Covalency of Hydrogen Bonding?
S. Janusz Grabowski
Chem. Rev. 111, 2597 (2011). -
5145 On the Nature of Actinide- and Lanthanide-Metal Bonds in Heterobimetallic Compounds
B. Vlaisavljevich, P. Miro, C. J. Cramer, L. Gagliardi, I. Infante, and S. T. Liddle
Chem.-Eur. J. 17, 8424 (2011). -
5146 Broadband Dielectric Spectroscopic, Calorimetric, and FTIR-ATR Investigations of D-Arabinose Aqueous Solutions
L. P. Singh, S. Cerveny, A. Alegria, and J. Colmenero
ChemPhysChem 12, 3624 (2011). -
5147 Diradicals and Diradicaloids in Natural Orbital Functional Theory
X. Lopez, F. Ruiperez, M. Piris, J. M. Matxain, and J. M. Ugalde
ChemPhysChem 12, 1061 (2011). -
5148 Natural Orbital Functional Theory and Reactivity Studies of Diradical Rearrangements: Ethylene Torsion as a Case Study
X. Lopez, M. Piris, J. M. Matxain, F. Ruiperez, and J. M. Ugalde
ChemPhysChem 12, 1673 (2011). -
5149 Octree-based, GPU implementation of a continuous cellular automaton for the simulation of complex, evolving surfaces
N. Ferrando, M. A. Gosalvez, J. Cerda, R. Gadea, and K. Sato
Comput. Phys. Commun. 182, 628 (2011). -
5150 Surface assembly of porphyrin nanorods with one-dimensional zinc-oxygen spinal cords
M. Trelka, C. Urban, C. Rogero, P. de Mendoza, E. Mateo-Marti, Y. Wang, I. Silanes, D. Ecija, M. Alcami, F. Yndurain, A. Arnau, F. Martin, A. M. Echavarren, J. Angel Martin-Gago, J. Maria Gallego, R. Otero, and R. Miranda
Crystengcomm 13, 5591 (2011). -
5151 Electron Delocalization in Organic Chemistry
E. Matito, and Prof Sola
Curr. Org. Chem. 15, 3554 (2011). -
5152 Matrix Infrared Spectroscopy and a Theoretical Investigation of SUO and US2
L. Andrews, X. Wang, B. Liang, F. Ruiperez, I. Infante, A. D. Raw, and J. A. Ibers
Eur. J. Inorg. Chem. , 4457 (2011). -
5153 Exotic high pressure behavior of light alkali metals, lithium and sodium
B. Rousseau, Y. Xie, Y. Ma, and A. Bergara
Eur. Phys. J. B 81, 1 (2011). -
5154 Anharmonicity in aluminum hydride at high pressures
B. Rousseau, and A. Bergara
High Pressure Res. 31, 30 (2011). -
5155 Electronic Structure and Bonding in Heteronuclear Dimers of V, Cr, Mo, and W: a CASSCF/CASPT2 Study
F. Ruiperez, J. M. Ugalde, and I. Infante
Inorg. Chem. 50, 9219 (2011). -
5156 Enhancement of the Luminescent Properties of a New Red-Emitting Phosphor, Mn-2(HPO3)F-2, by Zn Substitution
J. Orive, J. L. Mesa, R. Balda, J. Fernandez, J. Rodriguez Fernandez, T. Rojo, and M. I. Arriortua
Inorg. Chem. 50, 12463 (2011). -
5157 A COMPOSITE FERMION APPROACH TO THE ULTRACOLD DILUTE FERMI GAS
M. A. Cazalilla
Int. J. Mod. Phys. B 25, 329 (2011). -
5158 Model for a Biexciton in a Lateral Quantum Dot Based on Exact Solutions for the Hookean H-2 Molecule. I. Theoretical Aspects
E. V. Ludena, L. Echevarria, J. M. Ugalde, X. Lopez, and A. Corella-Madueno
Int. J. Quantum Chem. 111, 1808 (2011). -
5159 A half-step in quantized conductance for low-density electrons in a quantum wire
G. Gumbs, A. Balassis, D. Huang, S. Ahmed, and R. Brennan
J. Appl. Phys. 110, 073709 (2011). -
5160 An O(N-3) implementation of Hedin's GW approximation for molecules
D. Foerster, P. Koval, and D. Sanchez-Portal
J. Chem. Phys. 135, 074105 (2011).