Journal article
Catalysis and tunnelling in the unimolecular decay of Criegee intermediates
- Abstract:
- The unimolecular decay of Criegee intermediates is the major producer of OH radicals in the atmosphere. Here, Semi-Classical Transition State Theory (SCTST) in full and reduced dimensions is used to determine thermal rate constants for their unimolecular decay, as well as their decay catalysed by a single water molecule. These reactions shed light on the applicability of SCTST for catalysed hydrogen transfer reactions.
- Publication status:
- Published
- Peer review status:
- Peer reviewed
Actions
Access Document
- Files:
-
-
(Preview, Accepted manuscript, pdf, 1.8MB, Terms of use)
-
- Publisher copy:
- 10.1039/c8cp05021j
Authors
+ Leverhulme Trust
More from this funder
- Funding agency for:
- Shan, X
- Clary, D
- Grant:
- RPG-2013-321
- RPG-2013-321
+ Engineering and Physical Sciences Research Council
More from this funder
- Funding agency for:
- Burd, T
- Grant:
- EP/L015722/1
- Publisher:
- Royal Society of Chemistry
- Journal:
- Physical Chemistry Chemical Physics More from this journal
- Volume:
- 20
- Pages:
- 25224-25234
- Publication date:
- 2018-09-25
- Acceptance date:
- 2018-09-24
- DOI:
- EISSN:
-
1463-9084
- ISSN:
-
1463-9076
- Pmid:
-
30264080
- Language:
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English
- Pubs id:
-
pubs:923794
- UUID:
-
uuid:b7d2d2ba-65f4-48a4-a66a-c6d801e895e1
- Local pid:
-
pubs:923794
- Source identifiers:
-
923794
- Deposit date:
-
2018-10-22
Terms of use
- Copyright holder:
- Owner Societies
- Copyright date:
- 2018
- Notes:
- © the Owner Societies. This is the accepted manuscript version of the article. The final version is available online from Royal Society of Chemistry at: 10.1039/C8CP05021J
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