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Aurora Costales
Aurora Costales
Titular de Universidad
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Quantum-mechanical study of thermodynamic and bonding properties of MgF2
E Francisco, JM Recio, MA Blanco, AM Pendás, A Costales
The Journal of Physical Chemistry A 102 (9), 1595-1601, 1998
5271998
Non-nuclear maxima of the electron density
AM Pendás, MA Blanco, A Costales, PM Sánchez, V Luaña
Physical review letters 83 (10), 1930, 1999
1821999
Ions in crystals: The topology of the electron density in ionic materials. I. Fundamentals
AM Pendás, A Costales, V Luaña
Physical Review B 55 (7), 4275, 1997
1711997
Local compressibilities in crystals
AM Pendás, A Costales, MA Blanco, JM Recio, V Luaña
Physical Review B 62 (21), 13970, 2000
1582000
First principles study of polyatomic clusters of AlN, GaN, and InN. 1. Structure, stability, vibrations, and ionization
AK Kandalam, R Pandey, MA Blanco, A Costales, JM Recio, JM Newsam
The Journal of Physical Chemistry B 104 (18), 4361-4367, 2000
1442000
Ions in crystals: The topology of the electron density in ionic materials. II. The cubic alkali halide perovskites
V Luaña, A Costales, AM Pendás
Physical Review B 55 (7), 4285, 1997
1441997
Theoretical study of structural and vibrational properties of (AlP) n,(AlAs) n,(GaP) n,(GaAs) n,(InP) n, and (InAs) n clusters with n= 1, 2, 3
A Costales, AK Kandalam, R Franco, R Pandey
The Journal of Physical Chemistry B 106 (8), 1940-1944, 2002
1332002
Ions in crystals: the topology of the electron density in ionic materials. III. Geometry and ionic radii
AM Pendás, A Costales, V Luana
The Journal of Physical Chemistry B 102 (36), 6937-6948, 1998
1331998
Energetics and migration of point defects in Ga 2 O 3
MA Blanco, MB Sahariah, H Jiang, A Costales, R Pandey
Physical Review B 72 (18), 184103, 2005
1102005
Chemical bonding in group III nitrides
A Costales, MA Blanco, Á Martín Pendás, AK Kandalam, R Pandey
Journal of the American Chemical Society 124 (15), 4116-4123, 2002
932002
Topological analysis of chemical bonding in cyclophosphazenes
V Luaña, AM Pendas, A Costales, GA Carriedo, FJ García-Alonso
The Journal of Physical Chemistry A 105 (21), 5280-5291, 2001
822001
The nature of resonance-assisted hydrogen bonds: A quantum chemical topology perspective
JM Guevara-Vela, E Romero-Montalvo, A Costales, ÁM Pendás, ...
Physical Chemistry Chemical Physics 18 (38), 26383-26390, 2016
712016
Non-nuclear maxima of the electron density on alkaline metals
V Luana, P Mori-Sánchez, A Costales, MA Blanco, AM Pendás
The Journal of chemical physics 119 (12), 6341-6350, 2003
692003
Theoretical Study of Neutral and Anionic Group III Nitride Clusters:  MnNn (M = Al, Ga, and In; n = 4−6)
A Costales, AK Kandalam, R Pandey
The Journal of Physical Chemistry B 107 (19), 4508-4514, 2003
622003
First principles study of polyatomic clusters of AlN, GaN, and InN. 2. Chemical bonding
A Costales, AK Kandalam, A Martín Pendás, MA Blanco, JM Recio, ...
The Journal of Physical Chemistry B 104 (18), 4368-4374, 2000
612000
Density functional calculations of small anionic clusters of group III nitrides
A Costales, R Pandey
The Journal of Physical Chemistry A 107 (1), 191-197, 2003
582003
Structural, energetic, electronic, bonding, and vibrational properties of Ga3O, Ga3O2, Ga3O3, Ga2O3, and GaO3 clusters
S Gowtham, M Deshpande, A Costales, R Pandey
The Journal of Physical Chemistry B 109 (31), 14836-14844, 2005
502005
A multipolar approach to the interatomic covalent interaction energy
E Francisco, D Menendez Crespo, A Costales, A Martin Pendas
Journal of computational chemistry 38 (11), 816-829, 2017
472017
Evolution of the Properties of Al n N n Clusters with Size
A Costales, MA Blanco, E Francisco, R Pandey, A Martín Pendás
The Journal of Physical Chemistry B 109 (51), 24352-24360, 2005
472005
Ions in Crystals:  The Topology of the Electron Density in Ionic Materials. 4. The Danburite (CaB2Si2O8) Case and the Occurrence of Oxide−Oxide Bond Paths in …
V Luana, A Costales, P Mori-Sanchez, AM Pendás
The Journal of Physical Chemistry B 107 (21), 4912-4921, 2003
452003
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