Onderzoeker
Mercedes Alonso Giner
- 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.
- Trefwoorden:Scheikunde
- Disciplines:Kwantumchemie, Theorie en design van materialen, Fysische organische chemie, Optische eigenschappen van materialen, Transporteigenschappen en niet-evenwichtsprocessen
- 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.