Research Interests

Electronic Structure and Bonding of Complexes, Clusters, and Solids

 

Our research focuses on the electronic structure of inorganic and organometallic complexes, clusters, and solids. Since we are interested in complex systems we make use of approximate molecular orbital and band structure calculations to understand the electronic structures of these systems. One of our goals is to relate the electronic structure and reactivity of discrete molecular systems to the same properties of extended solid state systems. Two specific areas of research are 1) the analysis of the electronic structure of families of inorganic and organometallic molecules and clusters and 2) the study of inorganic materials which are important as catalysts in petroleum refining.

Theoretical chemistry contributes most effectively to our understanding of inorganic molecules and materials when we can combine our theoretical studies with experimental studies of the same system. Therefore we maintain active interactions and collaborations with experimental inorganic chemists.

Below are links that explain our research in further detail.

Cluster Systems

HDS Catalysis