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Journal article 1053 views 245 downloads

CHD3 dissociation on Pt(111): A comparison of the reaction dynamics based on the PBE functional and on a specific reaction parameter functional

Helen Chadwick Orcid Logo, D. Migliorini, G. J. Kroes

The Journal of Chemical Physics, Volume: 149, Issue: 4, Start page: 044701

Swansea University Author: Helen Chadwick Orcid Logo

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DOI (Published version): 10.1063/1.5039458

Published in: The Journal of Chemical Physics
ISSN: 0021-9606 1089-7690
Published: AIP Publishing 2018
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URI: https://cronfa.swan.ac.uk/Record/cronfa56039
first_indexed 2021-01-15T19:30:42Z
last_indexed 2021-01-30T04:21:25Z
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spelling 2021-01-29T15:02:28.9152698 v2 56039 2021-01-15 CHD3 dissociation on Pt(111): A comparison of the reaction dynamics based on the PBE functional and on a specific reaction parameter functional 8ff1942a68a875f00d473d51aa4947a1 0000-0003-4119-6903 Helen Chadwick Helen Chadwick true false 2021-01-15 EAAS Journal Article The Journal of Chemical Physics 149 4 044701 AIP Publishing 0021-9606 1089-7690 26 7 2018 2018-07-26 10.1063/1.5039458 COLLEGE NANME Engineering and Applied Sciences School COLLEGE CODE EAAS Swansea University 2021-01-29T15:02:28.9152698 2021-01-15T19:29:19.5035976 Faculty of Science and Engineering School of Engineering and Applied Sciences - Chemistry Helen Chadwick 0000-0003-4119-6903 1 D. Migliorini 2 G. J. Kroes 3 56039__19082__3c487b1736be4fae95457f268661f609.pdf PBE_vs_SRP_Pt211.pdf 2021-01-15T19:30:28.4474325 Output 1142265 application/pdf Accepted Manuscript true true eng
title CHD3 dissociation on Pt(111): A comparison of the reaction dynamics based on the PBE functional and on a specific reaction parameter functional
spellingShingle CHD3 dissociation on Pt(111): A comparison of the reaction dynamics based on the PBE functional and on a specific reaction parameter functional
Helen Chadwick
title_short CHD3 dissociation on Pt(111): A comparison of the reaction dynamics based on the PBE functional and on a specific reaction parameter functional
title_full CHD3 dissociation on Pt(111): A comparison of the reaction dynamics based on the PBE functional and on a specific reaction parameter functional
title_fullStr CHD3 dissociation on Pt(111): A comparison of the reaction dynamics based on the PBE functional and on a specific reaction parameter functional
title_full_unstemmed CHD3 dissociation on Pt(111): A comparison of the reaction dynamics based on the PBE functional and on a specific reaction parameter functional
title_sort CHD3 dissociation on Pt(111): A comparison of the reaction dynamics based on the PBE functional and on a specific reaction parameter functional
author_id_str_mv 8ff1942a68a875f00d473d51aa4947a1
author_id_fullname_str_mv 8ff1942a68a875f00d473d51aa4947a1_***_Helen Chadwick
author Helen Chadwick
author2 Helen Chadwick
D. Migliorini
G. J. Kroes
format Journal article
container_title The Journal of Chemical Physics
container_volume 149
container_issue 4
container_start_page 044701
publishDate 2018
institution Swansea University
issn 0021-9606
1089-7690
doi_str_mv 10.1063/1.5039458
publisher AIP Publishing
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Engineering and Applied Sciences - Chemistry{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Chemistry
document_store_str 1
active_str 0
published_date 2018-07-26T04:52:46Z
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score 11.444473

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