Quantum Theory of Chemical Reaction Dynamics

    loading  Checking for direct PDF access through Ovid

Abstract

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 [right arrow] HD + D and F + H2 [right arrow] 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 [right arrow] H2 O + H, and even to reactions of molecules on solid surfaces. New experimental techniques for probing reaction transition states, such as negative-ion photodetachment spectroscopy and pump-probe femtosecond spectroscopy, are stimulating the development of new theories.

Related Topics

    loading  Loading Related Articles