Summary: Surface chemistry monomolecular model membranes, sterol/lipid interactions, branched-chain lipids Langmuir-Blodgett multilayers of selected polymers. Local anesthetic biomembrane interactions

Summary: Molecular quantum mechanics, computational methods, molecular properties, and reactivity. Our research is in the general area of theoretical/computational chemistry. With the aid of detailed calculations of the electronic structure and potential energy surfaces of molecules, we seek to understand their structures, their properties, their relative stabilities, and the changes they undergo during a chemical reaction. In addition to using outside supercomputers, we share a computational laboratory with Professor King's group. Our equipment includes an Intel iPSC/2 hypercube networked with Sun workstations.

Summary: Molecular electronic structure theory, algorithms for parallel computers, dynamics of floppy molecules.

Summary: Theory and computation of magnetic properties of molecules, in particular NMR chemical shifts and spin-spin coupling constants, optical activity (circular dichroism, optical rotation); computation of properties of transition metal complexes; density functional theory, relativistic quantum chemistry