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Journal article

Insertion and abstraction pathways in the reaction O(1D2) + H2-->OH+H.

Abstract:

Rigorous quantum dynamical calculations have been performed on the ground 1 1A' and first excited 1 1A" electronic states of the title reaction, employing the most accurate potential energy surfaces available. Product rovibrational quantum state populations and rotational angular momentum alignment parameters are reported, and are compared with new experimental, and quasiclassical trajectory calculated results. The quantum calculations agree quantitatively with experiment, and reveal unequivo...

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Publication status:
Published

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Publisher copy:
10.1103/physrevlett.86.1729

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
Publisher:
American Inst of Physics
Journal:
Physical Review Letters
Volume:
86
Issue:
9
Pages:
1729-1732
Publication date:
2001-02-01
DOI:
EISSN:
1079-7114
ISSN:
0031-9007
Language:
English
Pubs id:
pubs:31862
UUID:
uuid:11f6d195-05a7-44a5-9d18-d16f004ca0ea
Local pid:
pubs:31862
Source identifiers:
31862
Deposit date:
2012-12-19

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