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7337 results: 7277 articles and 60 books or book chapters
Last updated: Sep 02, 2026-
5681
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). -
5682
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). -
5683
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). -
5684
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). -
5685
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). -
5686
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). -
5687
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). -
5688
Design of effective kernels for spectroscopy and molecular transport:
Time-dependent current-density-functional theory
M. Gatti
J. Chem. Phys. 134, 084102 (2011). -
5689
Study of the structure and dynamics of poly(vinyl pyrrolidone) by
molecular dynamics simulations validated by quasielastic neutron
scattering and x-ray diffraction experiments
R. Busselez, A. Arbe, F. Alvarez, J. Colmenero, and B. Frick
J. Chem. Phys. 134, 054904 (2011). -
5690
Fractional spin in reduced density-matrix functional theory
N. Helbig, G. Theodorakopoulos, and N. N. Lathiotakis
J. Chem. Phys. 135, 054109 (2011). -
5691
A natural orbital functional for multiconfigurational states
M. Piris, X. Lopez, F. Ruiperez, J. M. Matxain, and J. M. Ugalde
J. Chem. Phys. 134, 164102 (2011). -
5692
Structure, electronic, and optical properties of TiO2 atomic clusters:
An ab initio study
L. Chiodo, M. Salazar, A. H. Romero, S. Laricchia, F. Della Sala, and A. Rubio
J. Chem. Phys. 135, 244704 (2011). -
5693
Determining concentration depth profiles in fluorinated networks by
means of electric force microscopy
L. A. Miccio, M. M. Kummali, P. E. Montemartini, P. A. Oyanguren, G. A. Schwartz, A. Alegria, and J. Colmenero
J. Chem. Phys. 135, 064704 (2011). -
5694
Unoccupied states in Cu and Zn octaethyl-porphyrin and phthalocyanine
P. L. Cook, W. Yang, X. Liu, J. Maria Garcia-Lastra, A. Rubio, and F. J. Himpsel
J. Chem. Phys. 134, 204707 (2011). -
5695
Quasielastic neutron scattering study of hydrogen motions in an aqueous
poly(vinyl methyl ether) solution
S. Capponi, A. Arbe, S. Cerveny, R. Busselez, B. Frick, J. P. Embs, and J. Colmenero
J. Chem. Phys. 134, 204906 (2011). -
5696
The free volume of poly(vinyl methylether) as computed in a wide
temperature range and at length scales up to the nanoregion
D. Racko, S. Capponi, F. Alvarez, and J. Colmenero
J. Chem. Phys. 134, 044512 (2011). -
5697
Quantum chemical assessment of the binding energy of CuO+
E. Rezabal, J. Gauss, J. M. Matxain, R. Berger, M. Diefenbach, and M. C. Holthausen
J. Chem. Phys. 134, 064304 (2011). -
5698
Kinetic energy distribution of multiply charged ions in Coulomb
explosion of Xe clusters
A. Heidenreich, and J. Jortner
J. Chem. Phys. 134, 074315 (2011). -
5699
Complete vs Restricted Active Space Perturbation Theory Calculation of
the Cr-2 Potential Energy Surface
F. Ruiperez, F. Aquilante, J. M. Ugalde, and I. Infante
J. Chem. Theory Comput. 7, 1640 (2011). -
5700
Theoretical study of the structural stability and the electronic properties of AlmHn clusters
J. I. Martinez, F. Calle-Vallejo, V. Tripkovic, and J. A. Alonso
J. Comput. Theor. Nanosci. 8, 609 (2011).