Supplementary Material

In the Supplementary Material available online we provide additional information about the accuracy of the DFT method chosen, and on the surface modeling and relative convergence of the binding energy. Moreover, prefactors and TPDs for CH4 and CH3OH adsorbed on MgO (100) are calculated with all the models, in order to check the accuracy of the νvib TST in comparison with νCampbell.

Publication Details

Journal
Figshare
Published
2025-07-30
DOI
https://doi.org/10.60893/figshare.jcp.29328359.v1
Primary Topic
Wheat and Barley Genetics and Pathology
Type
article
Field-Weighted Citation Impact
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Supplementary Material

Figshare
Wheat and Barley Genetics and Pathology
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Supplementary Material

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Abstract

In the Supplementary Material available online we provide additional information about the accuracy of the DFT method chosen, and on the surface modeling and relative convergence of the binding energy. Moreover, prefactors and TPDs for CH4 and CH3OH adsorbed on MgO (100) are calculated with all the models, in order to check the accuracy of the νvib TST in comparison with νCampbell.

Figshare
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Wheat and Barley Genetics and Pathology
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Supplementary Material · Figshare (2025) | TGRS Research Map | TGRS