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7230 results: 7170 articles and 60 books or book chapters
Last updated: Jun 25, 2026-
5561
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). -
5562
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). -
5563
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). -
5564
Electron Delocalization in Organic Chemistry
E. Matito, and Prof Sola
Curr. Org. Chem. 15, 3554 (2011). -
5565
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). -
5566
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). -
5567
Anharmonicity in aluminum hydride at high pressures
B. Rousseau, and A. Bergara
High Pressure Res. 31, 30 (2011). -
5568
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). -
5569
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). -
5570
A COMPOSITE FERMION APPROACH TO THE ULTRACOLD DILUTE FERMI GAS
M. A. Cazalilla
Int. J. Mod. Phys. B 25, 329 (2011). -
5571
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). -
5572
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). -
5573
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). -
5574
Analog of Rabi oscillations in resonant electron-ion systems
L. Stella, R. P. Miranda, A. P. Horsfield, and A. J. Fisher
J. Chem. Phys. 134, 194105 (2011). -
5575
From caging to Rouse dynamics in polymer melts with intramolecular
barriers: A critical test of the mode coupling theory
M. Bernabei, A. J. Moreno, E. Zaccarelli, F. Sciortino, and J. Colmenero
J. Chem. Phys. 134, 024523 (2011). -
5576
Effect of hydration on the dielectric properties of C-S-H gel
S. Cerveny, S. Arrese-Igor, J. S. Dolado, J. J. Gaitero, A. Alegria, and J. Colmenero
J. Chem. Phys. 134, 034509 (2011). -
5577
Free volume holes diffusion to describe physical aging in poly(mehtyl
methacrylate)/silica nanocomposites
D. Cangialosi, V. M. Boucher, A. Alegria, and J. Colmenero
J. Chem. Phys. 135, 014901 (2011). -
5578
A multiconfigurational time-dependent Hartree-Fock method for excited
electronic states. I. General formalism and application to open-shell
states
R. P. Miranda, A. J. Fisher, L. Stella, and A. P. Horsfield
J. Chem. Phys. 134, 244101 (2011). -
5579
A multiconfigurational time-dependent Hartree-Fock method for excited
electronic states. II. Coulomb interaction effects in single conjugated
polymer chains
R. P. Miranda, A. J. Fisher, L. Stella, and A. P. Horsfield
J. Chem. Phys. 134, 244102 (2011). -
5580
Positron annihilation and relaxation dynamics from dielectric
spectroscopy and nuclear magnetic resonance:
Cis-trans-1,4-poly(butadiene)
J. Bartos, O. Sausa, G. A. Schwartz, A. Alegria, J. M. Alberdi, A. Arbe, J. Kristiak, and J. Colmenero
J. Chem. Phys. 134, 164507 (2011).