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Aug 24, 2023 -
Replication data of Kästner group for: "Ruthenium-Catalyzed Secondary Amine Formation Studied by Density Functional Theory"
Markdown Text - 974 B -
MD5: 1e6f7451d9768b7546894b5bb319bae9
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May 26, 2023 -
Data for: Performance of two complementary machine-learned potentials in modelling chemically complex systems
Plain Text - 517 B -
MD5: 3481f8c54ebde1c13d6e016ef5b9d493
INCAR file for VASP which was used for calculations |