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Understanding
molecular properties.

Predicting
chemical reactive behavior.


Our Research

Computational Chemistry
and molecular modeling.
Quantitative analysis of
molecular surface properties.
We conduct innovative research. We explore and develop application-driven methodologies.

Molecular Interactions:

The last decade has seen a surge of interest and activity in noncovalent interactions. These include hydrogen bonding, dihydrogen bonding, and more recently halogen bonding and other interactions which have come to be identified as σ-hole interactions. Our research group has been at the forefront in exploring and explaining the basis for halogen bonding and other σ-hole interactions.

The significance of σ-hole interactions in molecular biology, pharmacology and the design of new materials is increasingly recognized. A very recent development has been the expansion of the σ-hole concept to include π-holes.We continue our efforts to further understand both σ- and π-hole interactions and their uses in the design of new materials and drugs.