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Recent advances in quantum scattering calculations on polyatomic bimolecular reactions

Abstract:

This review surveys quantum scattering calculations on chemical reactions of polyatomic molecules in the gas phase published in the last ten years. These calculations are useful because they provide highly accurate information on the dynamics of chemical reactions which can be compared in detail with experimental results. They also serve as quantum mechanical benchmarks for testing approximate theories which can more readily be applied to more complicated reactions. This review includes theor...

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Publication status:
Published
Peer review status:
Peer reviewed
Version:
Accepted Manuscript

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Publisher copy:
10.1039/c7cs00526a

Authors


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ORCID:
0000-0003-1568-0259
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Institution:
University of Oxford
Division:
MPLS Division
Department:
Chemistry; Physical & Theoretical Chem
ORCID:
0000-0003-1603-0338
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Institution:
University of Oxford
Division:
MPLS Division
Department:
Chemistry; Physical & Theoretical Chem
Oxford college:
Magdalen College
ORCID:
0000-0003-4439-741X
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Funding agency for:
Shan, X
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Publisher:
Royal Society of Chemistry Publisher's website
Journal:
Chemical Society Reviews Journal website
Volume:
46
Issue:
24
Pages:
7652-7649
Publication date:
2017-11-16
DOI:
EISSN:
1460-4744
ISSN:
0306-0012
Pubs id:
pubs:800037
URN:
uri:5dd75c74-011d-4ba5-93e2-65c37d85e73a
UUID:
uuid:5dd75c74-011d-4ba5-93e2-65c37d85e73a
Local pid:
pubs:800037
Language:
English
Keywords:

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