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readme.txt (0.56 kB)
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Al2O3-slab-221-12L-HCONH2.inp (7 kB)
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Al2O3-adsorbates-xyz-files.zip (55.8 kB)
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Data for "Adsorption of Small Organic Molecules on the alpha-Al2O3 (0001) Mineral Surface: A Computational Study"
dataset
posted on 2022-03-31, 20:15 authored by Natalia MartsinovichNatalia Martsinovich, Aneesa AhmadOptimised structures of adsorption configurations of organic molecules on the alpha-Al2O3 (0001) surface
Funding
HIGH END COMPUTING MATERIALS CHEMISTRY CONSORTIUM
Engineering and Physical Sciences Research Council
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- There is no personal data or any that requires ethical approval
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- The data complies with the institution and funders' policies on access and sharing
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Data description
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Methodology, headings and units
- There is a file including methodology, headings and units, such as a readme.txt
