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The effect of the symmetric and asymmetric stretching vibrations on the CH3D+O(P-3)-> CH3+OD reaction

Abstract:

We report calculations on the CH3D + O(3P) → CH3 + OD reaction using a reduced dimensionality model with four degrees of freedom. The model has already been used to evaluate the effect of the symmetric and asymmetric stretching vibrations of methane on the CH4 + O(3P) and CH4 + H reactions. Unfortunately, it is not easy to establish a direct comparison between these previous calculations and experimental results. As the difficulties disappear when CH4 is replaced with CH3D we decided to try o...

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Publication status:
Published

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Publisher copy:
10.1016/S0009-2614(02)01239-3

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
Journal:
CHEMICAL PHYSICS LETTERS More from this journal
Volume:
363
Issue:
5-6
Pages:
529-533
Publication date:
2002-09-16
DOI:
ISSN:
0009-2614
Language:
English
Pubs id:
pubs:52753
UUID:
uuid:8b3c9e1b-d3ad-4caa-82ee-b464add22f69
Local pid:
pubs:52753
Source identifiers:
52753
Deposit date:
2013-11-17

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