Research lines

  • Axially chiral compounds.
  • Bioactive compounds with isotope labeling.
  • Computational chemistry: atomistic simulation of mechanical properties of materials.
  • Computational chemistry: design of CO2 capture systems.
  • Computational chemistry: design of new catalysts for the valorization of the sub-products of biomass processing, based in high oxidation transition metals.
  • Computational chemistry: molecular modeling in homogeneous, heterogeneous and biological catalysis.
  • Computational chemistry: prediction of the structure and spectroscopic properties of chemical systems.
  • Computational chemistry: study of reaction mechanisms in organic, inorganic or biologic systems.
  • Host-guest systems.
  • Non polymeric chiral supramolecular systems.
  • Organic synthesis:
  • Study of chiroptical properties.
  • Weakly aligned media for NMR.