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7378 results: 7318 articles and 60 books or book chapters
Last updated: 2026/10/05-
5001
Quasi-particle energy spectra in local reduced density matrix functional
theory
N. N. Lathiotakis, N. Helbig, A. Rubio, and N. I. Gidopoulos
J. Chem. Phys. 141, 164120 (2014). -
5002
Interacting pairs in natural orbital functional theory
M. Piris
J. Chem. Phys. 141, 044107 (2014). -
5003
Dielectric spectra broadening as a signature for dipole-matrix
interaction. IV. Water in amino acids solutions
E. Levy, S. Cerveny, I. Ermolina, A. Puzenko, and Y. Feldman
J. Chem. Phys. 140, 135104 (2014). -
5004
Benchmark Assessment of Density Functional Methods on Group II-VI MX (M
= Zn, Cd; X = S, Se, Te) Quantum Dots
J. M. Azpiroz, J. M. Ugalde, and I. Infante
J. Chem. Theory Comput. 10, 76 (2014). -
5005
Electronic Structure Study of Singlet Fission in Tetracene Derivatives
D. Casanova
J. Chem. Theory Comput. 10, 324 (2014). -
5006
New Approximation to the Third-Order Density. Application to the
Calculation of Correlated Multicenter Indices
F. Feixas, M. Sola, J. M. Barroso, J. M. Ugalde, and E. Matito
J. Chem. Theory Comput. 10, 3055 (2014). -
5007
Quasiparticle Level Alignment for Photocatalytic Interfaces
A. Migani, D. J. Mowbray, J. Zhao, H. Petek, and A. Rubio
J. Chem. Theory Comput. 10, 2103 (2014). -
5008
A Survey of the Parallel Performance and Accuracy of Poisson Solvers for
Electronic Structure Calculations
P. Garcia-Risueno, J. Alberdi-Rodriguez, M. J. T. Oliveira, X. Andrade, M. Pippig, J. Muguerza, A. Arruabarrena, and A. Rubio
J. Comput. Chem. 35, 427 (2014). -
5009
How Much Tetraradical Character Is Present in the Si6Ge9 Cluster?
D. Casanova
J. Comput. Chem. 35, 944 (2014). -
5010
Formation of metal-organic interface states studied with 2PPE
M. Marks, A. Schoell, and U. Hoefer
J. Electron Spectrosc. Relat. Phenom. 195, 263 (2014). -
5011
Electron dynamics of unoccupied states in topological insulators
D. Niesner, S. Otto, T. Fauster, E. V. Chulkov, S. V. Eremeev, O. E. Tereshchenko, and K. A. Kokh
J. Electron Spectrosc. Relat. Phenom. 195, 258 (2014). -
5012
Unoccupied electronic structure and relaxation dynamics of Pb/Si(111)
M. Sandhofer, I. Y. Sklyadneva, V. Sharma, V. M. Trontl, P. Zhou, M. Ligges, R. Heid, K. -P. Bohnen, E. V. Chulkov, and U. Bovensiepen
J. Electron Spectrosc. Relat. Phenom. 195, 278 (2014). -
5013
Structural, optical, and spectroscopic properties of Er3+-doped
TeO2-ZnO-ZnF2 glass-ceramics
A. Miguel, R. Morea, M. A. Arriandiaga, M. Hernandez, F. J. Ferrer, C. Domingo, J. M. Fernandez-Navarro, J. Gonzalo, J. Fernandez, and R. Balda
J. Eur. Ceram. Soc. 34, 3959 (2014). -
5014
Effect of Tm3+ codoping on the near-infrared and upconversion emissions
of Er3+ in TeO2-ZnO-ZnF2 glasses
A. Miguel, M. A. Arriandiaga, R. Morea, J. Fernandez, J. Gonzalo, and R. Balda
J. Lumines. 154, 136 (2014). -
5015
Whispering gallery mode emission from a composite system of J-aggregates
and photonic microcavity
D. Melnikau, D. Savateeva, K. I. Rusakov, and Y. P. Rakovich
J. Lumines. 145, 138 (2014). -
5016
Structural, electronic and magnetic properties of ConPtM-n for M=13, 19,
and 55, from first principles
J. M. Montejano-Carrizales, F. Aguilera-Granja, C. Goyhenex, V. Pierron-Bohnes, and J. L. Moran-Lopez
J. Magn. Magn. Mater. 355, 215 (2014). -
5017
Resistive switching dependence on atomic layer deposition parameters in
HfO2-based memory devices
R. Zazpe, M. Ungureanu, F. Golmar, P. Stoliar, R. Llopis, F. Casanova, D. F. Pickup, C. Rogero, and L. E. Hueso
J. Mater. Chem. C 2, 3204 (2014). -
5018
Anisotropic etching on Si110: experiment and simulation for the
formation of microstructures with convex corners
P. Pal, M. A. Gosalvez, K. Sato, H. Hida, and Y. Xing
J. Micromech. Microeng. 24, 125001 (2014). -
5019
CdS nanoclusters doped with divalent atoms
E. Jimenez-Izal, J. M. Azpiroz, R. Gupta, J. M. Matxain, and J. M. Ugalde
J. Mol. Model. 20, 2227 (2014). -
5020
Spin-orbit effects on the structural, homotop, and magnetic
configurations of small pure and Fe-doped Pt clusters
P. G. Alvarado-Leyva, F. Aguilera-Granja, A. Garcia-Fuente, and A. Vega
J. Nanopart. Res. 16, 2222 (2014).