Publicaciones en colaboración con investigadores/as de Universitat Jaume I (12)

2022

  1. A Chemical-Pressure-Induced Phase Transition Controlled by Lone Electron Pair Activity

    Journal of Physical Chemistry Letters, Vol. 13, Núm. 42, pp. 9883-9888

2018

  1. Chemical Bond Formation and Rupture Processes: An Application of DFT-Chemical Pressure Approach

    Journal of Physical Chemistry C, Vol. 122, Núm. 37, pp. 21216-21225

2009

  1. Bonding changes across the α-cristobalite → stishovite transition path in silica

    High Pressure Research

2004

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

    Journal of Physics Condensed Matter

  2. High-pressure behaviour of selenium-based spinels and related structures - An experimental and theoretical study

    Journal of Physics Condensed Matter, Vol. 16, Núm. 1, pp. 53-63

2003

  1. Origin of the low compressibility in hard nitride spinels

    Physical Review B - Condensed Matter and Materials Physics, Vol. 68, Núm. 6

2002

  1. Quantum-mechanical simulation of (formula presented) under high pressure

    Physical Review B - Condensed Matter and Materials Physics, Vol. 66, Núm. 22, pp. 1-7

  2. Quantum-mechanical simulation of MgAl2O4 under high pressure

    Physical Review B - Condensed Matter and Materials Physics, Vol. 66, Núm. 22, pp. 2241141-2241147

  3. Rigorous characterization of oxygen vacancies in ionic oxides

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

  4. Stability of MgAl2O4 under high-pressure conditions

    High Pressure Research, Vol. 22, Núm. 2, pp. 447-450

2001

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

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

  2. 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