Davidson Professor in Science and Professor of Chemistry. B. S., 1966, Juniata College. Ph. D., 1971, University of Wisconsin, Madison. AEI Research Fellow, 1971-72, University of Manchester. Research Associate, 1973-74, Univ. of Wisconsin. Inorganic Chemistry. Theoretical studies of the electronic structure of inorganic complexes, organometallic compounds and cluster systems. Relationship between electronic structure and chemical behavior, especially catalysis.

Bioinorganic Chemistry/Catalysis/Theoretical Chemistry

Inorganic Chemistry Theoretical Chemistry

"Theoretical Characterization of the Reaction Intermediates in a Model of the Nickel-Iron Hydrogenase of Desulfovibrio gigas" Niu, S. Thomson, L., and Hall, M.B. J. Am. Chem. Soc. 1999, 121, 4000. "Theoretical Studies of Inorganic and Organometallic Reaction Mechanisms 15. Catalytic Alkane Dehydrogenation by Iridium(III) Complexes" Niu, S. and Hall, M.B. J. Am. Chem. Soc. 1999, 121, 3992. "Prediction of the Geometries of Simple Transition Metal Polyhydride Complexes by Symmetry Analysis" Bayse, C.A., and Hall, M.B. J. Am. Chem. Soc. 1999, 121, 1348. "Structural and Bonding Trends in Platinum-Carbon Clusters" III Miller, T.F., and Hall, M.B. J. Am. Chem. Soc. 1999, 121, 7389. "Theoretical Calculations on Reactions of Transition Metal Complexes" Niu, S., and Hall, M.B. Chemical Reviews 2000, 100, 353.