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7069 results: 7026 articles and 43 books or book chapters
Last updated: Mar 25, 2026-
5841
Sandwich Complexes of the Metalloaromatic eta(3)-Al3R3 Ligand
J. M. Mercero, M. Piris, J. M. Matxain, X. Lopez, and J. M. Ugalde
J. Am. Chem. Soc. 131, 6949+ (2009). -
5842
Designing 3-D Molecular Stars
W. Tiznado, N. Perez-Peralta, R. Islas, A. Toro-Labbe, J. M. Ugalde, and G. Merino
J. Am. Chem. Soc. 131, 9426 (2009). -
5843
Determination of the nanoscale dielectric constant by means of a double
pass method using electrostatic force microscopy
C. Riedel, R. Arinero, P. Tordjeman, M. Ramonda, G. Leveque, G. A. Schwartz, D. G. de Oteyza, A. Alegria, and J. Colmenero
J. Appl. Phys. 106, 024315 (2009). -
5844
The role of intramolecular barriers on the glass transition of polymers:
Computer simulations versus mode coupling theory
M. Bernabei, A. J. Moreno, and J. Colmenero
J. Chem. Phys. 131, 204502 (2009). -
5845
Atomic motions in poly(vinyl methyl ether): A combined study by
quasielastic neutron scattering and molecular dynamics simulations in
the light of the mode coupling theory
S. Capponi, A. Arbe, F. Alvarez, J. Colmenero, B. Frick, and J. P. Embs
J. Chem. Phys. 131, 204901 (2009). -
5846
Exact Kohn-Sham potential of strongly correlated finite systems
N. Helbig, I. V. Tokatly, and A. Rubio
J. Chem. Phys. 131, 224105 (2009). -
5847
Influence of a dielectric layer on photon emission induced by a scanning
tunneling microscope
X. Tao, Z. C. Dong, J. L. Yang, Y. Luo, J. G. Hou, and J. Aizpurua
J. Chem. Phys. 130, 084706 (2009). -
5848
Ab initio electronic and optical spectra of free-base porphyrins: The
role of electronic correlation
M. Palummo, C. Hogan, F. Sottile, P. Bagala, and A. Rubio
J. Chem. Phys. 131, 084102 (2009). -
5849
Dielectric relaxations in ribose and deoxyribose supercooled water
solutions
S. E. Pagnotta, S. Cerveny, A. Alegria, and J. Colmenero
J. Chem. Phys. 131, 085102 (2009). -
5850
Spin conserving natural orbital functional theory
M. Piris, J. M. Matxain, X. Lopez, and J. M. Ugalde
J. Chem. Phys. 131, 021102 (2009). -
5851
High pressure dynamics of polymer/plasticizer mixtures
G. Ariel Schwartz, M. Paluch, A. Alegria, and J. Colmenero
J. Chem. Phys. 131, 044906 (2009). -
5852
Study of the dynamics of poly(ethylene oxide) by combining molecular
dynamic simulations and neutron scattering experiments
M. Brodeck, F. Alvarez, A. Arbe, F. Juranyi, T. Unruh, O. Holderer, J. Colmenero, and D. Richter
J. Chem. Phys. 130, 094908 (2009). -
5853
Calculations of trapping and desorption in heavy atom collisions with
surfaces
G. Fan, and J. R. Manson
J. Chem. Phys. 130, 064703 (2009). -
5854
On the temperature dependence of the nonexponentiality in glass-forming
liquids
D. Cangialosi, A. Alegria, and J. Colmenero
J. Chem. Phys. 130, 124902 (2009). -
5855
Neutron scattering study of the dynamics of a polymer melt under
nanoscopic confinement
M. Krutyeva, J. Martin, A. Arbe, J. Colmenero, C. Mijangos, G. J. Schneider, T. Unruh, Y. Su, and D. Richter
J. Chem. Phys. 131, 174901 (2009). -
5856
The free-volume structure of a polymer melt, poly(vinyl methylether)
from molecular dynamics simulations and cavity analysis
D. Racko, S. Capponi, F. Alvarez, J. Colmenero, and J. Bartos
J. Chem. Phys. 131, 064903 (2009). -
5857
The electronic structure of oxygen atom vacancy and hydroxyl impurity
defects on titanium dioxide (110) surface
T. Minato, Y. Sainoo, Y. Kim, H. S. Kato, K. -ichi Aika, M. Kawai, J. Zhao, H. Petek, T. Huang, W. He, B. Wang, Z. Wang, Y. Zhao, J. Yang, and J. G. Hou
J. Chem. Phys. 130, 124502 (2009). -
5858
The Many-Body Exchange-Correlation Hole at Metal Surfaces
L. A. Constantin, and J. M. Pitarke
J. Chem. Theory Comput. 5, 895 (2009). -
5859
Modified Ehrenfest Formalism for Efficient Large-Scale ab initio
Molecular Dynamics
X. Andrade, A. Castro, D. Zueco, J. L. Alonso, P. Echenique, F. Falceto, and A. Rubio
J. Chem. Theory Comput. 5, 728 (2009). -
5860
Iterative Diagonalization for Orbital Optimization in Natural Orbital
Functional Theory
M. Piris, and J. M. Ugalde
J. Comput. Chem. 30, 2078 (2009).