Journal article
A combined theoretical and experimental study of sarin (GB) decomposition at high temperatures
- Abstract:
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Theoretical and experimental results are presented for the pyrolytic decomposition of the nerve agent sarin (GB) in the gas phase. High level quantum chemistry calculations are performed together with a semiclassical transition state theory for describing quantum mechanical tunneling. The experimental and theoretical results for the temperature dependence of the survival times show very good agreement, as does the calculated and measured activation energy for thermal decomposition. The combin...
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- Publication status:
- Published
- Peer review status:
- Peer reviewed
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(Version of record, pdf, 1.5MB)
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- Publisher copy:
- 10.1021/acs.jpca.7b04282
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Authors
Funding
+ Leverhulme Trust
More from this funder
Funding agency for:
Shan, X
Grant:
CT&S R-Cloud Tender R100010-4370
+ Defence Science and Technology Laboratory
More from this funder
Funding agency for:
Shan, X
Grant:
CT&S R-Cloud Tender R100010-4370
+ Leverhulme Trust
More from this funder
Funding agency for:
Clary, DC
Grant:
CT&S R-Cloud Tender R100010-4370
+ Defence Science and Technology Laboratory
More from this funder
Funding agency for:
Clary, DC
Grant:
CT&S R-Cloud Tender R100010-4370
Bibliographic Details
- Publisher:
- American Chemical Society Publisher's website
- Journal:
- Journal of Physical Chemistry A Journal website
- Volume:
- 121
- Issue:
- 33
- Pages:
- 6200–6210
- Publication date:
- 2017-07-13
- Acceptance date:
- 2017-07-13
- DOI:
- EISSN:
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1520-5215
- ISSN:
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1089-5639
- Source identifiers:
-
709079
Item Description
- Pubs id:
-
pubs:709079
- UUID:
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uuid:3af4d2af-c388-42db-ab21-d4b37ff881fb
- Local pid:
- pubs:709079
- Deposit date:
- 2017-07-24
Terms of use
- Copyright holder:
- American Chemical Society
- Copyright date:
- 2017
- Notes:
- Copyright © 2017 American Chemical Society. This is an open access article published under a Creative Commons Attribution (CC-BY) License, which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited.
- Licence:
- CC Attribution (CC BY)
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