Journal of the American Chemical Society, Vol.118, No.41, 9984-9985, 1996
Synchronous or Asynchronous - An Experimental Transition-State from a Direct Comparison of Experimental and Theoretical Kinetic Isotope Effects for a Diels-Alder Reaction
Keywords:DENSITY-FUNCTIONAL THEORY;STEPWISE MECHANISMS;CYCLOADDITION REACTIONS;PERICYCLIC-REACTIONS;SCALING FACTORS;AB-INITIO;BUTADIENE;ETHYLENE;ABINITIO;CYCLOPENTADIENE