
To obtain a mathematical expression for the kinetic isotope effect we can use either the Arrhenius equation or the Eyring equation from transition state theory.
Transition State Theory (TST) or Activated Complex Theory (ACT) is a reaction mechanism originally developed to describe gas phase collision reactions. It has the general reaction scheme:
Transition state theory is a statistical mechanical theory of chemical reaction rates that may be derived from two fundamental assumptions.
Transition state theory (TST), also called activated complex theory, is often introduced in general chemistry courses when discussing kinetics. A reaction energy diagram is used to follow the …
To calculate a rate constant by transition-state theory, we need, as usual, the energies and partition functions of reactants and products. To calculate properties in a solvent, in the solvation tab of …
The transition state (activated complex) is a transient species of high energy that falls apart to generate the products of the reaction.
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