|Post:||Department of Chemistry|
|Memorial University of Newfoundland|
|St. John's, NL A1B 3X7 CANADA|
My research interests deal mainly with developing an understanding of the key structural features of reactant molecules which influence the energy barriers controlling important chemical and biochemical reactions using computational chemical methods. This involves geometry optimization of reactants, products, and proposed intermediates and transition states as well as determining single point energies at various levels of theory and various basis sets. The MUNGAUSS computational program developed by Dr. Ray Poirier of Memorial's chemistry department and various collaborators as well as Gaussian 98 are available as computational tools. High performance computational facilities at Memorial are among the best in Canada.