Minns, Russell (2024) Data associated with "Direct observation of a roaming intermediate and its dynamics". University of Southampton doi:10.5258/SOTON/D2643 [Dataset]
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Abstract
Paper to be published in the Journal of the American Chemical Society https://doi.org/10.1021/jacs.4c01543 The files contain the experimentally measured photoelectron spectra analysed in the manuscript as well as the calculated potential energy surfaces used in the analysis.
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ethanal_cas_14_13_sa_ns_1.inp
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ethanal_cas_14_13_freq_2.out
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data_array.txt
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binding_energy.txt
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Published date: April 2024
Identifiers
Local EPrints ID: 489447
URI: http://eprints.soton.ac.uk/id/eprint/489447
PURE UUID: 3e9da54b-bf5e-4ac1-b54e-d61ba8ac5d68
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Date deposited: 24 Apr 2024 16:38
Last modified: 27 Apr 2024 01:48
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