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Quantum stereodynamics of four-atom reactions: theory and application to H(2)+OH <-> H(2)O+H

Abstract:

This article presents a theoretical quantum method for the description of the stereo-dynamics of four-atom reactions of the type AB(vAB, jAB) + CD(vCD, jCD) ↔ ABC(v′1, v′2 , v′3, j′) + D. The method is based on density matrix techniques and angular momentum algebra, and requires knowledge of the scattering matrix. Reagents and products are treated on an equal footing, and the reaction stereodynamics can be analysed either in the rotational polarisation or in the molecular polarisation represe...

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Publication status:
Published

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Publisher copy:
10.1039/a901948k

Authors


de Miranda, MP More by this author
Pogrebnya, SK More by this author
More by this author
Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Journal:
FARADAY DISCUSSIONS
Volume:
113
Pages:
119-132
Publication date:
1999
DOI:
EISSN:
1364-5498
ISSN:
1364-5498
URN:
uuid:5a761920-5d84-4ac3-a98c-9ecc252ff6b1
Source identifiers:
52782
Local pid:
pubs:52782
Language:
English

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