Journal article

Quantum scattering calculations on chemical reactions

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.

Publication status:: Published

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APA Style

Althorpe, S., & Clary, D. (2003). Quantum scattering calculations on chemical reactions. ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 54, 493–529.

MLA Style

Althorpe, S., and D. Clary. “Quantum Scattering Calculations on Chemical Reactions.” ANNUAL REVIEW OF PHYSICAL CHEMISTRY, vol. 54, 2003, pp. 493–529.

Chicago Style

Althorpe, S., and D. Clary. 2003. “Quantum Scattering Calculations on Chemical Reactions.” ANNUAL REVIEW OF PHYSICAL CHEMISTRY 54: 493–529.
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Publisher copy:: 10.1146/annrev.physchem.54.011002.103750

Authors

+ Althorpe, S More by this author

Role:: Author

+ Clary, D More by this author

Institution:: University of Oxford
Division:: MPLS
Department:: Chemistry
Sub department:: Physical & Theoretical Chem
Role:: Author

Journal:: ANNUAL REVIEW OF PHYSICAL CHEMISTRY More from this journal
Volume:: 54
Pages:: 493-529
Publication date:: 2003-01-01
DOI:: 10.1146/annrev.physchem.54.011002.103750
ISSN:: 0066-426X

Language:: English
Pubs id:: pubs:38777
UUID:: uuid:4fd2c17a-5963-4a34-b8b9-a678b8105383
Local pid:: pubs:38777
Source identifiers:: 38777
Deposit date:: 2013-11-16
ARK identifier:: ark:/29072/ora_4fd2c17a59634a34b8b9a678b8105383

Terms of use

Copyright date:: 2003

Licence:: Terms and Conditions of Use for Oxford University Research Archive

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