Quantum theory of chemical reaction dynamics

  title={Quantum theory of chemical reaction dynamics},
  volume={279 5358},
  • Clary
  • Published 1998 in Science
It is now possible to use rigorous quantum scattering theory to perform accurate calculations on the detailed state-to-state dynamics of chemical reactions in the gas phase. Calculations on simple reactions, such as H + D2 --> HD + D and F + H2 --> HF + H, compete with experiment in their accuracy. Recent advances in theory promise to extend such accurate predictions to more complicated reactions, such as OH + H2 --> H2O + H, and even to reactions of molecules on solid surfaces. New… CONTINUE READING