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QUANTUM SCATTERING CALCULATIONS ON CHEMICAL REACTIONS.

Authors :
Althorpe, Stuart C.
Clary, David C.
Source :
Annual Review of Physical Chemistry; 2003, Vol. 54 Issue 1, p493, 37p
Publication Year :
2003

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. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
0066426X
Volume :
54
Issue :
1
Database :
Complementary Index
Journal :
Annual Review of Physical Chemistry
Publication Type :
Academic Journal
Accession number :
9688532
Full Text :
https://doi.org/10.1146/annurev.physchem.54.011002.103750