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Onderzoeker

Mercedes Alonso Giner

  • Onderzoeksdoeleinden:
    • Modelling the structure, properties, reactivity and reaction mechanisms of organic and organometallic compounds of biological and technological interest via the application of quantum chemistry methods.

    • Development, implementation and application of aromaticity indices for quantifying Hückel and Möbius aromaticity.

    • Design of molecular switches based on topology and/or aromaticity changes in expanded porphyrins for nanoelectronic applications.

    • Understanding the nature and origin of noncovalent interactions involving aromatic and aliphatic groups and their application in organic chemistry, materials science, and molecular biology.

    • Structure, chemical bonding and reactivity of main-group metal complexes.

    • Application of neural networks in Chemistry for establishing structure-activity relationships.

  • Trefwoorden:Scheikunde
  • Disciplines:Kwantumchemie, Transporteigenschappen en niet-evenwichtsprocessen, Fysische organische chemie, Optische eigenschappen van materialen, Theorie en design van materialen
  • Gebruikers van onderzoeksexpertise:
    • Modelling the structure, properties, reactivity and reaction mechanisms of organic and organometallic compounds of biological and technological interest via the application of quantum chemistry methods.

    • Development, implementation and application of aromaticity indices for quantifying Hückel and Möbius aromaticity.

    • Design of molecular switches based on topology and/or aromaticity changes in expanded porphyrins for nanoelectronic applications.

    • Understanding the nature and origin of noncovalent interactions involving aromatic and aliphatic groups and their application in organic chemistry, materials science, and molecular biology.

    • Structure, chemical bonding and reactivity of main-group metal complexes.

    • Application of neural networks in Chemistry for establishing structure-activity relationships.