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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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