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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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College: Faculty of Science and Engineering
Issue: 8
Start Page: 1294
End Page: 1299