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Quantum mechanical angular distributions for the F+HD reaction

Abstract:

Quantum-mechanical integral and differential cross-sections have been calculated for the title reaction at the two collision energies (Ecoll = 1.35 and 1.98 kcal mol-1) studied in the 1985 molecular beam experiment of Lee and co-workers, using the new ab initio potential-energy surface of Stark and Werner. The DF + H product channel is found to behave essentially classically: the present quantum-mechanical angular distributions for this channel are in good agreement with both the earlier quas...

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Publication status:
Published

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Publisher copy:
10.1039/a801227j

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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
Journal:
FARADAY DISCUSSIONS
Volume:
110
Pages:
119-138
Publication date:
1998-01-01
DOI:
EISSN:
1364-5498
ISSN:
0301-7249
Source identifiers:
36771
Language:
English
Pubs id:
pubs:36771
UUID:
uuid:1c3a91c4-05c5-4d5b-a860-014ad72758cf
Local pid:
pubs:36771
Deposit date:
2012-12-19

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