Solvent Effects on Isotope Effects: Methyl Cation as a Model System

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  A COMPUTATIONAL FRAMEWORK FOR INTERPRETATION OF KINETIC ISOT OPE EFFECTS FOR ORGANIC REACTIONS IN SOLUTION

  Williams, I. (PI)

  Engineering and Physical Sciences Research Council

  1/12/06 → 30/11/09

  Project: Research council

  • Kinetic Isotope Effect 100%
  • Cation 55%
  • Transition State 54%
  • Statistical Ensemble 51%
  • Computer Simulation 50%