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Jan 16, 2025
Högler, Marc; Kobayashi, Takeshi; Kraus, Hamzeh; Atwi, Boshra; Buchmeiser, Michael; Fyta, Maria; Hansen, Niels, 2025, "Supplementary material for "Influence of Ionic Liquid Film Thickness and Flow Rate on Macrocyclization Efficiency and Selectivity in Supported Ionic Liquid-Liquid Phase Catalysis"", https://doi.org/10.18419/DARUS-4063, DaRUS, V1
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication as well as GC-MS and NMR data. We recommend viewing the data by choosing the option "tree".
Unknown - 1.1 KB - MD5: 0eea6342c66e3fddd6ade20526f58438
Cartesian coordinates of a single 1-heptane molecule in .gro format.
application/vnd.shana.informed.formtemplate - 2.5 KB - MD5: 655da9f2ee17756b36264c7ce10b33d5
Topology file of a 1-heptane molecule in .itp format.
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