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Computational Chemistry


Click here to watch My TRU Research Story (Sept 2015)







        Strategies to reduce opioid addiction

        Biochemical kinetic study of antioxidant activity

        Calculation and study of deuterium isotope effects on equilibrium constants under ambient and hydrothermal conditions





  • Computational chemistry: thermodynamic and kinetic studies of organic systems of environmental, biochemical, or chemical importance
  • Applications of machine learning methods
  • Calculation of equilibrium constants in the gas phase and in solution
  • Kinetic studies in the gas phase and in solution; calculation of reaction mechanisms
  • Atmospheric chemistry
  • Excited states and photochemistry



We gratefully acknowledge the support received from NSERC, the Digital Research Alliance of Canada, the Faculty of Science, the Department of Chemistry and Information Technology Services at TRU.



Special thanks to Cliff Harms, Wayne Pinette, (IT, TRU), Jim Hobbs (Supervisor, Lab Support Services, TRU), Wesley Cole (former Director, Network and Technical Services, TRU), Karen Wiens (former Supervisor, Lab Support Services, TRU) and Brian Mackay (former AVP IT Services and Chief Information Officer, TRU).