Researcher
Mercedes Alonso Giner
- Research Expertise:
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.
- Keywords:Chemistry (incl. biochemistry)
- Disciplines:Quantum chemistry, Theory and design of materials, Physical organic chemistry, Optical properties of materials, Transport properties and non-equilibrium processes
- Users of research expertise:
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.