Publicaciones en colaboración con investigadores/as de Universidad Complutense de Madrid (29)

2024

  1. Atomic contributions to ZnO mechanical properties at negative and positive pressures

    Results in Physics, Vol. 60

  2. Where are the Excess Electrons in Subvalent Compounds? The Case of Ag7Pt2O7

    Inorganic Chemistry, Vol. 63, Núm. 13, pp. 5897-5907

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

  2. Charge analysis in (RE)CrO4 scheelites by combined Raman spectroscopy and computer simulations

    Journal of Solid State Chemistry, Vol. 316

  3. Intermolecular forces at ice and water interfaces: Premelting, surface freezing, and regelation

    Journal of Chemical Physics, Vol. 157, Núm. 4

  4. Structural and Electronic Effect Driven Distortions in Visible Light Absorbing Polar Materials ATa2V2O11(A = Sr, Pb)

    Journal of Physical Chemistry C

2021

  1. Highs and Lows of Bond Lengths: Is There Any Limit?

    Angewandte Chemie - International Edition, Vol. 60, Núm. 31, pp. 17028-17036

  2. Pressure-Driven Metallization in Hafnium Diselenide

    Inorganic Chemistry, Vol. 60, Núm. 3, pp. 1746-1754

  3. Temperature and pressure-induced strains in anhydrous iron trifluoride polymorphs

    Physical Chemistry Chemical Physics, Vol. 23, Núm. 4, pp. 2825-2835

2020

  1. Generalized Stress-Redox Equivalence: A Chemical Link between Pressure and Electronegativity in Inorganic Crystals

    Inorganic Chemistry, Vol. 59, Núm. 8, pp. 5281-5291

  2. Theoretical Characterization of the High Pressure Nonclathrate CO2Hydrate

    ACS Earth and Space Chemistry, Vol. 4, Núm. 11, pp. 2121-2128

2019

  1. Chemical pressure-chemical knowledge: Squeezing bonds and lone pairs within the valence shell electron pair repulsion model

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 23, pp. 12585-12596

  2. Computational modeling of tensile stress effects on the structure and stability of prototypical covalent and layered materials

    Nanomaterials, Vol. 9, Núm. 10

2017

  1. Temperature effects on the friction-like mode of graphite

    Theoretical Chemistry Accounts, Vol. 136, Núm. 4

2016

  1. A local topological view of pressure-induced polymorphs in SiO2

    9th congress on electronic structure: principles and applications (espa 2014)

  2. Anharmonicity effects in the frictionlike mode of graphite

    Physical Review B, Vol. 93, Núm. 14

2015

  1. A novel crystalline SiCO compound

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 38, pp. 25055-25060

2014

  1. Modeling graphite under stress: Equations of state, vibrational modes, and interlayer friction

    Physical Review B - Condensed Matter and Materials Physics, Vol. 90, Núm. 5

2013

  1. First-principles study of structure and stability in Si-C-O-based materials

    Theoretical Chemistry Accounts, Vol. 132, Núm. 1, pp. 1-5

  2. Understanding chemical changes across the α-cristobalite to stishovite transition path in silica

    Journal of Physical Chemistry C, Vol. 117, Núm. 17, pp. 8950-8958