The Inorganic, Bioinorganic and Organometallic Chemistry Program of the Chemistry Division supports the theoretical work of Dr. Suzanne Harris, Department of Chemistry, University of Wyoming, whose principal goal is to explore the cooperative role of two metal centers in homogeneous and heterogeneous hydrodesulfurization. Also, calculations will be done on extended solids using high density functional methods and the Fenske-Hall approach whose combination represents a novel powerful tool.
The work will be of interest not only to hydrodesulfurization but also to catalysis in general. Success of these calculations should lead to improvements of the HDS process and thereby diminish environmental pollution. Undergraduate and graduate students and post-doctoral associates will receive excellent training in theoretical calculations that have practical interest.
