MARIA AURORA
COSTALES CASTRO
Profesora Titular de Universidad
Publicaciones en las que colabora con MARIA AURORA COSTALES CASTRO (14)
2002
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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
Journal of Physical Chemistry B, Vol. 106, Núm. 8, pp. 1940-1944
2001
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Structural study of (ALN)(N), (GAN)(N), and (INN)(N) (N=3-6): From N-N dominated molecules to metal-N dominated solid-like clusters.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
2000
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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
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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
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Local compressibilities in crystals
Physical Review B - Condensed Matter and Materials Physics, Vol. 62, Núm. 21, pp. 13970-13978
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Modeling of the properties of dopants in the NLO semiconductor CdGeAs2
INFRARED APPLICATIONS OF SEMICONDUCTORS III
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Modeling of the properties of dopants in the NLO semiconductor CdGeAs2
Materials Research Society Symposium - Proceedings
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Theoretical characterization of the high-pressure phases
Physical Review B - Condensed Matter and Materials Physics, Vol. 61, Núm. 17, pp. 11359-11362
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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
1999
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Strategies for determining and using ab initio interionic potentials
Radiation Effects and Defects in Solids, Vol. 151, Núm. 1, pp. 223-228
1998
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Atomistic calculations of dopant binding energies in ZnGeP2
INFRARED APPLICATIONS OF SEMICONDUCTORS II
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Quantum-mechanical study of thermodynamic and bonding properties of MgF2
Journal of Physical Chemistry A, Vol. 102, Núm. 9, pp. 1595-1601
1997
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Atomistic calculations of dopant binding energies in ZnGeP2
Materials Research Society Symposium - Proceedings
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Structural and chemical stability of halide perovskites
Solid State Communications, Vol. 104, Núm. 1, pp. 47-50