MARIA AURORA
COSTALES CASTRO
Profesora Titular de Universidad
Miguel
Alvarez Blanco
Publicaciones en las que colabora con Miguel Alvarez Blanco (23)
2008
-
Buckling in wurtzite-like AlN nanostructures and crystals: Why nano can be different
CMES - Computer Modeling in Engineering and Sciences, Vol. 24, Núm. 2-3, pp. 143-156
-
Theoretical simulation of AlN nanocrystals
Journal of Physical Chemistry C, Vol. 112, Núm. 17, pp. 6667-6676
2007
-
Comparison of direct and flow integration based charge density population analyses
Journal of Physical Chemistry A, Vol. 111, Núm. 48, pp. 12146-12151
-
Topology and Properties of the Electron Density in Solids
The Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug Design (Wiley-VCH Verlag GmbH & Co. KGaA), pp. 207-229
2006
-
First principles study of neutral and anionic (medium-size) aluminum nitride clusters: AlnNn, n = 7-16
Journal of Physical Chemistry B, Vol. 110, Núm. 9, pp. 4092-4098
2005
-
Energetics and migration of point defects in Ga2O3
Physical Review B - Condensed Matter and Materials Physics, Vol. 72, Núm. 18
-
Evolution of the properties of AlnNn clusters with size
Journal of Physical Chemistry B, Vol. 109, Núm. 51, pp. 24352-24360
2004
-
Effect of dielectric polarization on the properties of charged point defects in insulating crystals: The nitrogen vacancy in AlN
Journal of Physics Condensed Matter, Vol. 16, Núm. 20, pp. 3371-3378
-
Theoretical study of the group-IV antisite acceptor defects in CdGeAs 2
Applied Physics Letters
-
Topological properties of the electron density of solids and molecules. Recent developments in Oviedo
Acta Crystallographica Section A: Foundations of Crystallography, Vol. 60, Núm. 5, pp. 434-437
-
Universal Features of the Topological Bond Properties of the Electron Density
Journal of Physical Chemistry A, Vol. 108, Núm. 14, pp. 2794-2801
2003
-
Non-nuclear maxima of the electron density on alkaline metals
Journal of Chemical Physics, Vol. 119, Núm. 12, pp. 6341-6350
2002
-
Chemical bonding in group III nitrides
Journal of the American Chemical Society, Vol. 124, Núm. 15, pp. 4116-4123
2000
-
First Principles Study of Polyatomic Clusters of AlN, GaN, and InN. 1. Structure, Stability, Vibrations, and Ionization
Journal of Physical Chemistry B, Vol. 104, Núm. 18, pp. 4361-4367
-
First Principles Study of Polyatomic Clusters of AlN, GaN, and InN. 2. Chemical Bonding
Journal of Physical Chemistry B, Vol. 104, Núm. 18, pp. 4368-4374
-
Ions in crystals: The topology of the electron density in ionic materials. V. The B1-B2 phase transition in alkali halides
Physical Review B - Condensed Matter and Materials Physics, Vol. 62, Núm. 18, pp. 12028-12039
-
Local compressibilities in crystals
Physical Review B - Condensed Matter and Materials Physics, Vol. 62, Núm. 21, pp. 13970-13978
-
Theoretical characterization of the high-pressure phases
Physical Review B - Condensed Matter and Materials Physics, Vol. 61, Núm. 17, pp. 11359-11362
-
Theoretical study of native and rare-earth defect complexes in β
Physical Review B - Condensed Matter and Materials Physics, Vol. 62, Núm. 2, pp. 803-809
-
Transition path for the B3⇌B1 phase transformation in semiconductors
Physical Review B - Condensed Matter and Materials Physics, Vol. 62, Núm. 16, pp. R10599-R10602