Journal article 544 views
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 
,
Maarten E. van Reijzen,
Rainer D. Beck,
Bret Jackson,
Marc C. van Hemert,
Geert-Jan Kroes
,
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
Full text not available from this repository: check for access using links below.
DOI (Published version): 10.1021/jz500233n
Abstract
Ab Initio Molecular Dynamics Calculations versus Quantum-State-Resolved Experiments on CHD3 + Pt(111): New Insights into a Prototypical Gas–Surface Reaction
| Published in: | The Journal of Physical Chemistry Letters |
|---|---|
| ISSN: | 1948-7185 |
| Published: |
American Chemical Society (ACS)
2014
|
| Online Access: |
Check full text
|
| URI: | https://cronfa.swan.ac.uk/Record/cronfa56052 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| first_indexed |
2021-01-15T20:16:34Z |
|---|---|
| last_indexed |
2021-01-30T04:21:26Z |
| id |
cronfa56052 |
| recordtype |
SURis |
| fullrecord |
<?xml version="1.0"?><rfc1807><datestamp>2021-01-29T11:48:09.1606864</datestamp><bib-version>v2</bib-version><id>56052</id><entry>2021-01-15</entry><title>Ab Initio Molecular Dynamics Calculations versus Quantum-State-Resolved Experiments on CHD3 + Pt(111): New Insights into a Prototypical Gas–Surface Reaction</title><swanseaauthors><author><sid>8ff1942a68a875f00d473d51aa4947a1</sid><ORCID>0000-0003-4119-6903</ORCID><firstname>Helen</firstname><surname>Chadwick</surname><name>Helen Chadwick</name><active>true</active><ethesisStudent>false</ethesisStudent></author></swanseaauthors><date>2021-01-15</date><deptcode>CHEM</deptcode><abstract/><type>Journal Article</type><journal>The Journal of Physical Chemistry Letters</journal><volume>5</volume><journalNumber>8</journalNumber><paginationStart>1294</paginationStart><paginationEnd>1299</paginationEnd><publisher>American Chemical Society (ACS)</publisher><placeOfPublication/><isbnPrint/><isbnElectronic/><issnPrint>1948-7185</issnPrint><issnElectronic/><keywords/><publishedDay>17</publishedDay><publishedMonth>4</publishedMonth><publishedYear>2014</publishedYear><publishedDate>2014-04-17</publishedDate><doi>10.1021/jz500233n</doi><url/><notes/><college>COLLEGE NANME</college><department>Chemistry</department><CollegeCode>COLLEGE CODE</CollegeCode><DepartmentCode>CHEM</DepartmentCode><institution>Swansea University</institution><apcterm/><lastEdited>2021-01-29T11:48:09.1606864</lastEdited><Created>2021-01-15T20:14:45.7408762</Created><path><level id="1">Faculty of Science and Engineering</level><level id="2">School of Engineering and Applied Sciences - Chemistry</level></path><authors><author><firstname>Francesco</firstname><surname>Nattino</surname><order>1</order></author><author><firstname>Hirokazu</firstname><surname>Ueta</surname><order>2</order></author><author><firstname>Helen</firstname><surname>Chadwick</surname><orcid>0000-0003-4119-6903</orcid><order>3</order></author><author><firstname>Maarten E. van</firstname><surname>Reijzen</surname><order>4</order></author><author><firstname>Rainer D.</firstname><surname>Beck</surname><order>5</order></author><author><firstname>Bret</firstname><surname>Jackson</surname><order>6</order></author><author><firstname>Marc C. van</firstname><surname>Hemert</surname><order>7</order></author><author><firstname>Geert-Jan</firstname><surname>Kroes</surname><order>8</order></author></authors><documents/><OutputDurs/></rfc1807> |
| 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 |
| document_store_str |
0 |
| active_str |
0 |
| published_date |
2014-04-17T04:10:42Z |
| _version_ |
1763753740246974464 |
| score |
11.017776 |