Publicaciones en las que colabora con JOSE MANUEL RECIO MUÑIZ (36)

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

2009

  1. Bases for understanding polymerization under pressure: The practical case of CO2

    Journal of Physical Chemistry B, Vol. 113, Núm. 4, pp. 1068-1073

  2. Computation of local and global properties of the electron localization function topology in crystals

    Journal of Chemical Theory and Computation, Vol. 5, Núm. 1, pp. 164-173

  3. Universal compressibility behaviour of ions in ionic crystals

    High Pressure Research

2008

  1. How electron localization function quantifies and pictures chemical changes in a solid: The B3 → B1 pressure induced phase transition in BeO

    Journal of Physical Chemistry B, Vol. 112, Núm. 32, pp. 9787-9794

  2. Useful applications of the electron localization function in high-pressure crystal chemistry

    Journal of Physics and Chemistry of Solids, Vol. 69, Núm. 9, pp. 2204-2207

2004

  1. Bonding and compressibility in molecular and polymeric phases of solid CO2

    Journal of Physics Condensed Matter

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

  4. Rigorous characterization of oxygen vacancies in ionic oxides

    Physical Review B - Condensed Matter and Materials Physics, Vol. 66, Núm. 7, pp. 751031-751036

2001

  1. Microscopic analysis of the compressibility in the spinel phase of Si3N4

    Europhysics Letters, Vol. 54, Núm. 6, pp. 760-766

  2. Practical embedding for ionic materials: Crystal-adapted pseudopotentials for the MgO crystal

    Physical Review B - Condensed Matter and Materials Physics, Vol. 64, Núm. 10

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

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

  4. 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

  5. Theoretical explanation of the uniform compressibility behavior observed in oxide spinels

    Physical Review B - Condensed Matter and Materials Physics, Vol. 63, Núm. 18, pp. 1841011-1841017

2000

  1. 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

  2. Local compressibilities in crystals

    Physical Review B - Condensed Matter and Materials Physics, Vol. 62, Núm. 21, pp. 13970-13978

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