William B. Smith
High speed computers and newly available software have made possible the application of modern quantum mechanical methods to the solution of problems in physical organic chemistry. These methods are being applied to a number of reaction mechanisms which have defied experimental methods of attack in the past. Both free radical and carbocation mechanisms are under scrutiny. A sampling of these interest are indicated by the list of publications below.
“Corner Bromination of 2-Methyl-endo-tricyclo[3.2.1.02,4]-octane and -oct-6-ene”, J.Org.Chem. 61,3669(1996). (with Prof. James Coxon, University of Canterbury, Christchurch, N.Z.).
“Thermolysis and Photolysis of a g-Azoperester. Cyclization of g-Azo and g-Perester Radicals” J. Am. Chem. Soc. 119, 6059(1997). (with Prof. Paul Engle and S.L. He, Rice University.)
“Examining the Bromination of Benzobicyclooctadiene by Ab Initio Methods,” J.Org.Chem. 63,2661(1998)
“Hydrogen as a migrating group in some pinacol rearrangements: a DFT study” J.Phys.Org. Chem., 12, 741 (1999)