All Stories

  1. Collective and self-dynamics in Tetrahydrofuran

    Article • The Journal of Chemical Physics, May 2023, American Institute of Physics

    Arantxa Arbe, Fernando Álvarez, Dr JOSE ANGEL MARTINEZ GONZALEZ

  2. Vibrational Analysis of Hydration-Layer Water around Ubiquitin, Unpeeled Layer by Layer: Molecular-Dynamics Perceptions

    Article • International Journal of Molecular Sciences, December 2022, MDPI AG

    Dr JOSE ANGEL MARTINEZ GONZALEZ

  3. Molecular simulation of water adsorption on hydrophilic and hydrophobic surfaces of silicon: IR-spectral explorations

    Article • Molecular Simulation, March 2021, Taylor & Francis

    Dr JOSE ANGEL MARTINEZ GONZALEZ

  4. Interfacial water morphology in hydrated melanin

    Article • Soft Matter, January 2021, Royal Society of Chemistry

    Dr JOSE ANGEL MARTINEZ GONZALEZ

  5. Multidisciplinary study on the hydrogelation of the digold(i) complex [{Au(9N-adeninate)}2(μ-dmpe)]: optical, rheological, and quasi-elastic neutron scattering perspectives

    Article • Inorganic Chemistry Frontiers, January 2021, Royal Society of Chemistry

    Dr JOSE ANGEL MARTINEZ GONZALEZ

  6. Infrared spectra and density of states at the interface between water and protein: Insights from classical molecular dynamics

    Article • Chemical Physics Letters, October 2020, Elsevier

    Dr JOSE ANGEL MARTINEZ GONZALEZ

  7. Near‐infrared multivariate model transfer for quantification of different hydrogen bonding species in aqueous systems

    Article • Journal of Chemometrics, June 2020, Wiley

    Dr JOSE ANGEL MARTINEZ GONZALEZ

  8. Coherency spectral analysis of interfacial water at TiO2 surfaces

    Article • Molecular Simulation, May 2020, Taylor & Francis

    Dr JOSE ANGEL MARTINEZ GONZALEZ

  9. Correction: Feasibility of attenuated total reflection-fourier transform infrared (ATR-FTIR) chemical imaging and partial least squares regression (PLSR) to predict protein adhesion on polymeric surfaces

    Article • The Analyst, January 2020, Royal Society of Chemistry

    Dr JOSE ANGEL MARTINEZ GONZALEZ

  10. Feasibility of attenuated total reflection-fourier transform infrared (ATR-FTIR) chemical imaging and partial least squares regression (PLSR) to predict protein adhesion on polymeric surfaces

    Article • The Analyst, January 2019, Royal Society of Chemistry

    Dr JOSE ANGEL MARTINEZ GONZALEZ

  11. Multiscale Computational Simulation of Amorphous Silicates’ Structural, Dielectric, and Vibrational Spectroscopic Properties

    Article • Minerals, August 2018, MDPI AG

    Dr JOSE ANGEL MARTINEZ GONZALEZ

  12. Multi-Scale Computational Simulation of Amorphous Silicates. Structural, Dielectric and Vibrational Spectroscopic Properties

    Article • June 2018, MDPI AG

    Dr JOSE ANGEL MARTINEZ GONZALEZ

  13. Predictive modelling of the water contact angle of surfaces using attenuated total reflection – Fourier transform infrared (ATR-FTIR) chemical imaging and partial least squares regression (PLSR)

    Article • The Analyst, January 2018, Royal Society of Chemistry

    Dr JOSE ANGEL MARTINEZ GONZALEZ

  14. Understanding the interface between silicon-based materials and water: Molecular-dynamics exploration of infrared spectra

    Article • AIP Advances, November 2017, American Institute of Physics

    Dr JOSE ANGEL MARTINEZ GONZALEZ

  15. Erratum: Can attenuated total internal reflection-Fourier transform infrared be used to understand the interaction between polymers and water? A hyperspectral imaging study

    Article • Journal of Spectral Imaging, May 2017, IM Publications

    Dr JOSE ANGEL MARTINEZ GONZALEZ

  16. Can attenuated total internal reflection-Fourier transform infrared be used to understand the interaction between polymers and water? A hyperspectral imaging study

    Article • Journal of Spectral Imaging, April 2017, IM Publications

    Dr JOSE ANGEL MARTINEZ GONZALEZ

  17. Relevance of silicate surface morphology in interstellar H2formation. Insights from quantum chemical calculations

    Article • Monthly Notices of the Royal Astronomical Society, August 2015, Oxford University Press (OUP)

    Dr JOSE ANGEL MARTINEZ GONZALEZ

  18. Further theoretical insight into the reaction mechanism of the hepatitis C NS3/NS4A serine protease

    Article • Chemical Physics Letters, January 2015, Elsevier

    Dr JOSE ANGEL MARTINEZ GONZALEZ

  19. Theoretical Study of the Free Energy Surface and Kinetics of the Hepatitis C Virus NS3/NS4A Serine Protease Reaction with the NS5A/5B Substrate. Does the Generally Accepted Tetrahedral Intermediate Really Exist?

    Article • ACS Catalysis, December 2014, American Chemical Society (ACS)

    Dr JOSE ANGEL MARTINEZ GONZALEZ