Publicaciones en las que colabora con EVELIO FRANCISCO MIGUELEZ (38)

2013

  1. Chemical interactions and spin structure in (O2)4: Implications for the ε-O2 phase

    Journal of Chemical Theory and Computation, Vol. 9, Núm. 5, pp. 2179-2188

2003

  1. Spinodal equation of state for rutile (formula presented)

    Physical Review B - Condensed Matter and Materials Physics, Vol. 67, Núm. 6

  2. Spinodal equation of state for rutile TiO2

    Physical Review B - Condensed Matter and Materials Physics, Vol. 67, Núm. 6, pp. 641101-641108

2002

  1. First-principles study of the rocksalt-cesium chloride relative phase stability in alkali halides

    Physical Review B - Condensed Matter and Materials Physics, Vol. 66, Núm. 14, pp. 1-8

  2. First-principles study of the rocksalt-cesium chloride relative phase stability in alkali halides

    Physical Review B - Condensed Matter and Materials Physics, Vol. 66, Núm. 14, pp. 1441121-1441128

  3. Microscopic study of the rock salt-caesium chloride phase stability in alkali halides

    High Pressure Research, Vol. 22, Núm. 2, pp. 443-446

2001

  1. Ab initio calculations of pressure-induced polymorphism in ZnTe.

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

  2. Quantum-mechanical analysis of the equation of state of anatase (formula presented)

    Physical Review B - Condensed Matter and Materials Physics, Vol. 64, Núm. 18

  3. Quantum-mechanical analysis of the equation of state of anatase TiO2

    Physical Review B - Condensed Matter and Materials Physics, Vol. 64, Núm. 18, pp. 1841131-1841139

2000

  1. A theoretical study of the cluster vibrations in Cr2O2, Cr2O3, and Cr2O4

    Journal of Physical Chemistry A, Vol. 104, Núm. 5, pp. 990-994

1999

  1. Strategies for determining and using ab initio interionic potentials

    Radiation Effects and Defects in Solids, Vol. 151, Núm. 1, pp. 223-228

1998

  1. Quantum-mechanical study of thermodynamic and bonding properties of MgF2

    Journal of Physical Chemistry A, Vol. 102, Núm. 9, pp. 1595-1601

1997

  1. Universal-binding-energy relations across the rock-salt-cesium chloride phase transition in alkali halides

    Physical Review B - Condensed Matter and Materials Physics, Vol. 56, Núm. 6, pp. 3010-3015

1996

  1. Atomistic simulation of the pressure-temperature-volume diagram in α-Al2O3

    Solid State Communications, Vol. 98, Núm. 1, pp. 41-44

  2. Thermodynamical properties of solids from microscopic theory: Applications to MgF2 and Al2O3

    Journal of Molecular Structure: THEOCHEM, Vol. 368, Núm. 1-3 SPEC. ISS., pp. 245-255

1995

  1. Derivation of electron-gas interatomic potentials from quantum-mechanical descriptions of ions in crystals

    Physical Review B, Vol. 51, Núm. 5, pp. 2703-2714

  2. Effects of a quantum crystal potential on the derivation of electron gas interionic energies

    Radiation Effects and Defects in Solids, Vol. 134, Núm. 1-4, pp. 197-200

  3. Energetics of the RbF + CaF2 ↠ RbCaF3 solid state reaction: A first-principles study

    Radiation Effects and Defects in Solids, Vol. 134, Núm. 1-4, pp. 193-196

  4. Inference of crystal properties from cluster magnitudes

    The Journal of Chemical Physics, Vol. 103, Núm. 1, pp. 432-439

  5. Modeling the O2 - O2- interaction for atomistic simulations

    Physical Review B, Vol. 51, Núm. 17, pp. 11289-11295