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Quantum theory of chemical reaction dynamics

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 --> 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 ...

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Publication status:
Published

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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Journal:
Science (New York, N.Y.)
Volume:
279
Issue:
5358
Pages:
1879-1882
Publication date:
1998-03-05
DOI:
EISSN:
1095-9203
ISSN:
0036-8075
URN:
uuid:0e328916-7849-486e-b2b7-c2b612d4bb60
Source identifiers:
52747
Local pid:
pubs:52747
Language:
English

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