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Ab Initio Molecular Dynamics Calculations versus Quantum-State-Resolved Experiments on CHD3 + Pt(111): New Insights into a Prototypical Gas–Surface Reaction

Francesco Nattino, Hirokazu Ueta, Helen Chadwick Orcid Logo, Maarten E. van Reijzen, Rainer D. Beck, Bret Jackson, Marc C. van Hemert, Geert-Jan Kroes

The Journal of Physical Chemistry Letters, Volume: 5, Issue: 8, Pages: 1294 - 1299

Swansea University Author: Helen Chadwick Orcid Logo

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DOI (Published version): 10.1021/jz500233n

Published in: The Journal of Physical Chemistry Letters
ISSN: 1948-7185
Published: American Chemical Society (ACS) 2014
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URI: https://cronfa.swan.ac.uk/Record/cronfa56052
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first_indexed 2021-01-15T20:16:34Z
last_indexed 2021-01-30T04:21:26Z
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spelling 2021-01-29T11:48:09.1606864 v2 56052 2021-01-15 Ab Initio Molecular Dynamics Calculations versus Quantum-State-Resolved Experiments on CHD3 + Pt(111): New Insights into a Prototypical Gas–Surface Reaction 8ff1942a68a875f00d473d51aa4947a1 0000-0003-4119-6903 Helen Chadwick Helen Chadwick true false 2021-01-15 CHEM Journal Article The Journal of Physical Chemistry Letters 5 8 1294 1299 American Chemical Society (ACS) 1948-7185 17 4 2014 2014-04-17 10.1021/jz500233n COLLEGE NANME Chemistry COLLEGE CODE CHEM Swansea University 2021-01-29T11:48:09.1606864 2021-01-15T20:14:45.7408762 Faculty of Science and Engineering School of Engineering and Applied Sciences - Chemistry Francesco Nattino 1 Hirokazu Ueta 2 Helen Chadwick 0000-0003-4119-6903 3 Maarten E. van Reijzen 4 Rainer D. Beck 5 Bret Jackson 6 Marc C. van Hemert 7 Geert-Jan Kroes 8
title Ab Initio Molecular Dynamics Calculations versus Quantum-State-Resolved Experiments on CHD3 + Pt(111): New Insights into a Prototypical Gas–Surface Reaction
spellingShingle Ab Initio Molecular Dynamics Calculations versus Quantum-State-Resolved Experiments on CHD3 + Pt(111): New Insights into a Prototypical Gas–Surface Reaction
Helen Chadwick
title_short Ab Initio Molecular Dynamics Calculations versus Quantum-State-Resolved Experiments on CHD3 + Pt(111): New Insights into a Prototypical Gas–Surface Reaction
title_full Ab Initio Molecular Dynamics Calculations versus Quantum-State-Resolved Experiments on CHD3 + Pt(111): New Insights into a Prototypical Gas–Surface Reaction
title_fullStr Ab Initio Molecular Dynamics Calculations versus Quantum-State-Resolved Experiments on CHD3 + Pt(111): New Insights into a Prototypical Gas–Surface Reaction
title_full_unstemmed Ab Initio Molecular Dynamics Calculations versus Quantum-State-Resolved Experiments on CHD3 + Pt(111): New Insights into a Prototypical Gas–Surface Reaction
title_sort Ab Initio Molecular Dynamics Calculations versus Quantum-State-Resolved Experiments on CHD3 + Pt(111): New Insights into a Prototypical Gas–Surface Reaction
author_id_str_mv 8ff1942a68a875f00d473d51aa4947a1
author_id_fullname_str_mv 8ff1942a68a875f00d473d51aa4947a1_***_Helen Chadwick
author Helen Chadwick
author2 Francesco Nattino
Hirokazu Ueta
Helen Chadwick
Maarten E. van Reijzen
Rainer D. Beck
Bret Jackson
Marc C. van Hemert
Geert-Jan Kroes
format Journal article
container_title The Journal of Physical Chemistry Letters
container_volume 5
container_issue 8
container_start_page 1294
publishDate 2014
institution Swansea University
issn 1948-7185
doi_str_mv 10.1021/jz500233n
publisher American Chemical Society (ACS)
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
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published_date 2014-04-17T04:10:42Z
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