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A rigorous test of the statistical model for atom-diatom insertion reactions

Abstract:
The statistical model of atom-diatom insertion reactions was combined with CC capture theory. The resultant methodology was employed to calculate differential cross sections for the reactions of C(1D), N(2D), O(1D) and S(1D) with H2. A comparison of the resulting initial state-selected differential cross sections with the exact quantum reactive scattering calculations of Honvaultand Launay showed that all four reactions behave essentially statistically on their ground adiabatic potential energy surfaces.
Publication status:
Published

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Publisher copy:
10.1063/1.1628218

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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
Journal:
JOURNAL OF CHEMICAL PHYSICS
Volume:
119
Issue:
24
Pages:
12895-12907
Publication date:
2003-12-22
DOI:
ISSN:
0021-9606
Source identifiers:
38862
Language:
English
Pubs id:
pubs:38862
UUID:
uuid:14baed55-c6a7-4872-b47a-0387a46f641e
Local pid:
pubs:38862
Deposit date:
2012-12-19

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