Quantum theory of chemical reaction dynamics

Journal article

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 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.

Authors: Clary, D

• Publication status: Published
• Journal: Science (New York, N.Y.)
• Volume: 279
• Issue: 5358
• Pages: 1879-1882
• Publication date: 1998-03-01
• DOI: 10.1126/science.279.5358.1879
• EISSN: 1095-9203
• ISSN: 0036-8075
• Language: English