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Data_Available_for_Comms_Chem.zip (325.55 kB)

Data Available for 'Generic Approach to Access Barriers in Dehydrogenation Reactions'

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Version 3 2018-01-06, 19:15
Version 2 2017-11-14, 22:39
Version 1 2017-11-14, 22:35
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posted on 2018-01-06, 19:15 authored by Liang YuLiang Yu, Laia Arribas, Frank Abild-Pedersen
Data sources for plotting the figures in the article.
In the file name, term 'TSS' means transition state scaling relation; term 'GX' means the Gamma (slope) and Xi (intercept) functions.

Please contact Liang Yu at yuliang0719@gmail.com or Frank Abild-Pedersen at abild@slac.stanford.edu to access the unzipping password.

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    Keywords

    r-scalingtransfer scheme,transition state energy scaling relationComputational ChemistryTheoretical and Computational Chemistry not elsewhere classified

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    CC BY 4.0

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