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QUANTUM DYNAMICS OF THE H+D2-]D+HD REACTION - COMPARISON WITH EXPERIMENT

Abstract:

The Kohn variational principle for the log-derivative matrix is used to calculate integral cross sections for H + D2 (v = 0, j = 0) to D + HD (v′ = 0,1,2, all j′) at the experimentally accessible collision energies of 0.55 and 1.3 eV. Comparison is made with experimental and theoretical studies in the literature. Product state relative rotational distributions, vibrational branching ratios, and energy partitioning fractions are all in good agreement with the recent experimental results of Rin...

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Publication status:
Published

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Publisher copy:
10.1063/1.460432

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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Role:
Author
Journal:
JOURNAL OF CHEMICAL PHYSICS
Volume:
94
Issue:
9
Pages:
5985-5993
Publication date:
1991-05-01
DOI:
ISSN:
0021-9606
URN:
uuid:e30bcc57-8d3e-4d2a-affa-e3f0216223cd
Source identifiers:
43618
Local pid:
pubs:43618

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