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Quantum Chemistry
Quantum scattering calculations on chemical reactions.
PubMed
Authors: Althorpe SC, Clary DC
Year
2003
Paper ID
13038
Status
Peer-reviewed
Abstract Read
~2 min
Abstract Words
86
Citations
N/A
Abstract
This review discusses recent quantum scattering calculations on bimolecular chemical reactions in the gas phase. This theory provides detailed and accurate predictions on the dynamics and kinetics of reactions containing three atoms. In addition, the method can now be applied to reactions involving polyatomic molecules. Results obtained with both time-independent and time-dependent quantum dynamical methods are described. The review emphasises the recent development in time-dependent wave packet theories and the applications of reduced dimensionality approaches for treating polyatomic reactions. Calculations on over 40 different reactions are described.
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- This paper contributes to the Quantum Chemistry research area in the Quantum Articles archive.
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- This review discusses recent quantum scattering calculations on bimolecular chemical reactions in the gas phase.
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