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6838 results: 6800 articles and 38 books or book chapters
Last updated: 2025/11/10-
4441
Aluminium in Biological Environments: A Computational Approach
J. I. Mujika, E. Rezabal, J. M. Mercero, F. Ruiperez, D. Costa, J. M. Ugalde, and X. Lopez
Comp. Struct. Biotechnol. J.. 9, UNSP e201403002 (2014). -
4442
Coverage dependence of the level alignment for methanol on TiO2(110)
A. Migani, and D. J. Mowbray
Comput. Theor. Chem. 1040, 259 (2014). -
4443
New `aggregation induced emission (AIE)' active cyclometalated
iridium(III) based phosphorescent sensors: high sensitivity for
mercury(II) ions
P. Alam, G. Kaur, C. Climent, S. Pasha, D. Casanova, P. Alemany, A. R. Choudhury, and I. R. Laskar
Dalton Trans. 43, 16431 (2014). -
4444
Contribution of evanescent waves to the effective medium of disordered
waveguides
M. Yepez, and J. Jose Saenz
EPL 108, 17006 (2014). -
4445
Structural and electronic properties of magnetic cylinders at the atomic
scale
F. Aguilera-Granja, J. Martin Montejano-Carrizales, and E. E. Vogel
Eur. Phys. J. D 68, 38 (2014). -
4446
High pressure phases of different tetraboranes
A. Suarez-Alcubilla, I. G. Gurtubay, and A. Bergara
High Pressure Res. 34, 59 (2014). -
4447
Stereochemistry of Complexes with Double and Triple Metal-Ligand Bonds:
A Continuous Shape Measures Analysis
S. Alvarez, B. Menjon, A. Falceto, D. Casanova, and P. Alemany
Inorg. Chem. 53, 12151 (2014). -
4448
Application of the level set method for the visual representation of
continuous cellular automata oriented to anisotropic wet etching
C. Montoliu, N. Ferrando, J. Cerda, and R. J. Colom
Int. J. Comput. Math. 91, 124 (2014). -
4449
Hole-Phonon Relaxation and Photocatalytic Properties of Titanium Dioxide
and Zinc Oxide: First-Principles Approach
V. P. Zhukov, V. G. Tyuterev, E. V. Chulkov, and P. M. Echenique
Int. J. Photoenergy 2014, 738921 (2014). -
4450
Perspective on Natural Orbital Functional Theory
M. Piris, and J. M. Ugalde
Int. J. Quantum Chem. 114, 1169 (2014). -
4451
Are There Really Cooper Pairs and Persistent Currents in Aromatic
Molecules?
R. H. Squire, N. H. March, and A. Rubio
Int. J. Quantum Chem. 114, 437 (2014). -
4452
The phase equilibria in the Ag2S-Ag8GeS6-Ag8SnS6 system
Z. M. Aliyeva, S. M. Bagheri, Z. S. Aliev, I. J. Alverdiyev, Y. A. Yusibov, and M. B. Babanly
J. Alloy. Compd. 611, 395 (2014). -
4453
Photoinduced C-C Reactions on Insulators toward Photolithography of
Graphene Nanoarchitectures
C. -A. Palma, K. Diller, R. Berger, A. Welle, J. Bjork, J. L. Cabellos, D. J. Mowbray, A. C. Papageorgiou, N. P. Ivleva, S. Matich, E. Margapoti, R. Niessner, B. Menges, J. Reichert, X. Feng, H. J. Raeder, F. Klappenberger, A. Rubio, K. Muellen, and J. V. Barth, et al.
J. Am. Chem. Soc. 136, 4651 (2014). -
4454
Local versus global electronic properties of chalcopyrite alloys: X-ray
absorption spectroscopy and ab initio calculations
R. Sarmiento-Perez, S. Botti, C. S. Schnohr, I. Lauermann, A. Rubio, and B. Johnson
J. Appl. Phys. 116, 093703 (2014). -
4455
Dielectric spectroscopy at the nanoscale by atomic force microscopy: A
simple model linking materials properties and experimental response
L. A. Miccio, M. M. Kummali, G. A. Schwartz, A. Alegria, and J. Colmenero
J. Appl. Phys. 115, 184305 (2014). -
4456
The interaction of organic adsorbate vibrations with substrate lattice
waves in methyl-Si(111)-(1 x 1)
R. D. Brown, Z. M. Hund, D. Campi, L. E. O'Leary, N. S. Lewis, M. Bernasconi, G. Benedek, and S. J. Sibener
J. Chem. Phys. 141, 024702 (2014). -
4457
Vibrational lifetimes of hydrogen on lead films: An ab initio molecular
dynamics with electronic friction (AIMDEF) study
P. Saalfrank, J. I. Juaristi, M. Alducin, M. Blanco-Rey, and R. D. Muino
J. Chem. Phys. 141, 234702 (2014). -
4458
Two new constraints for the cumulant matrix
E. Ramos-Cordoba, P. Salvador, M. Piris, and E. Matito
J. Chem. Phys. 141, 234101 (2014). -
4459
Second-order perturbative corrections to the restricted active space
configuration interaction with the hole and particle approach
D. Casanova
J. Chem. Phys. 140, 144111 (2014). -
4460
Ab initio molecular dynamics calculations on scattering of hyperthermal
H atoms from Cu(111) and Au(111)
G. -J. Kroes, M. Pavanello, M. Blanco-Rey, M. Alducin, and D. J. Auerbach
J. Chem. Phys. 141, 054705 (2014).