Publications in collaboration with researchers from University of Lorraine (6)

2021

  1. Understanding the Pressure Effect on the Elastic, Electronic, Vibrational, and Bonding Properties of the CeScO3Perovskite

    Journal of Physical Chemistry C, Vol. 125, Núm. 1, pp. 107-119

2020

  1. Disclosing the behavior under hydrostatic pressure of rhombohedral MgIn2Se4by means of first-principles calculations

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 38, pp. 21909-21918

2017

  1. Advanced capabilities for materials modelling with Quantum ESPRESSO

    Journal of Physics Condensed Matter, Vol. 29, Núm. 46

2015

  1. Towards a feasible and scalable production of bio-xerogels

    Journal of Colloid and Interface Science, Vol. 456, pp. 138-144

2014

  1. An ab initio analysis of the structure of l-tryptophan tautomers in microhydrated environments, in water and in hydrophobic solvents

    Computational and Theoretical Chemistry, Vol. 1034, pp. 17-25

2013

  1. Taste for chiral guests: Investigating the stereoselective binding of peptides to β-cyclodextrins

    Journal of Physical Chemistry B, Vol. 117, Núm. 11, pp. 3091-3097