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The effect of the symmetric and asymmetric stretching vibrations of CH4 on the O(3P) + CH4 → OH + CH3 reaction

Abstract:

We present a four-dimensional quantum scattering model to treat reactions of the type CH4 + X → CH3 + XH. The most important feature of the model is that it allows the effect of the symmetric and asymmetric stretching vibrations of CH4 on reactivity to be studied. We used the model to study the CH4 + O(3P) → CH3 + OH reaction. We found that the symmetric stretch vibration is more efficient in promoting reaction than the asymmetric stretch. We also found that exciting any of these stretching m...

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Publisher copy:
10.1039/b003184o

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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Journal:
Physical Chemistry Chemical Physics
Volume:
2
Issue:
18
Pages:
4105-4114
Publication date:
2000-09-15
DOI:
ISSN:
1463-9076
URN:
uuid:d52f63c0-3fd7-455f-a0b5-ad7e6c3e103e
Source identifiers:
326183
Local pid:
pubs:326183
Language:
English

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