Dataset

Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'

This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files are provided for the simulations discussed in the paper. The data of the final NVT production simulation run are stored for the two phase, bulk and pore systems.

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Supplementary material for 'Confined...HTML
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Metadata Information

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Author	Kobayashi, Takeshi, Kraus, Hamzeh, Hansen, Niels, Fyta, Maria
Maintainer	DaRUS
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MetadataCreated	2023-05-08T19:12:05.753534
MetadataModified	2023-05-08T19:12:05.753541
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