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Classical reaction probabilities, cross sections and rate constants for the O(D-1)+H-2->OH+H reaction

Abstract:

Reaction probabilities, total reaction cross sections as a function of collision energy, and rate constants have been calculated using the quasi-classical trajectory (QCT) method for the O(1D) + H2 reaction on several ab initio potential energy surfaces (PES), including the recent one by Ho, Hollebeck, Rabitz, Harding and Schatz. Detailed QCT results on the Schinke and Lester PES are compared with recent time-dependent wavepacket calculations on the same PES, showing good agreement. The QCT t...

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Publication status:
Published

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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:
278
Issue:
4-6
Pages:
313-324
Publication date:
1997-10-31
DOI:
ISSN:
0009-2614
Language:
English
Pubs id:
pubs:52555
UUID:
uuid:1b3b6186-5758-465c-8c90-41382439c50a
Local pid:
pubs:52555
Source identifiers:
52555
Deposit date:
2012-12-19

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