%0 Generic %1 kobayashi2021supplementary %A Kobayashi, Takeshi %A Kraus, Hamzeh %A Hansen, Niels %A Fyta, Maria %D 2021 %K %R 10.18419/darus-1138 %T Supplementary material for 'Confined Ru-catalysts in a Two-phase Heptane/Ionic Liquid Solution: Modeling Aspects' %X 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.

@misc{kobayashi2021supplementary, abstract = {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.}, added-at = {2023-08-19T11:55:30.000+0200}, affiliation = {Kobayashi, Takeshi/University of Stuttgart, Kraus, Hamzeh/University of Stuttgart, Hansen, Niels/University of Stuttgart, Fyta, Maria/University of Stuttgart}, author = {Kobayashi, Takeshi and Kraus, Hamzeh and Hansen, Niels and Fyta, Maria}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2aa1e0b3feaa9c4afcec4a70764b96154/unibiblio}, doi = {10.18419/darus-1138}, howpublished = {Dataset}, interhash = {6c681e8e9977896593d320251cefc330}, intrahash = {aa1e0b3feaa9c4afcec4a70764b96154}, keywords = {}, note = {Related to: Takeshi Kobayashi, Hamzeh Kraus, Niels Hansen and Maria Fyta, Confined Ru-catalysts in a Two-phase Heptane/Ionic Liquid Solution: Modeling Aspects, ChemCatChem 2021, 13, 739-746. doi: 10.1002/cctc.202001596}, orcid-numbers = {Kobayashi, Takeshi/0000-0002-4823-1567, Kraus, Hamzeh/0000-0001-9643-4839, Hansen, Niels/0000-0003-4366-6120, Fyta, Maria/0000-0002-5425-7907}, timestamp = {2023-08-19T09:55:30.000+0200}, title = {Supplementary material for 'Confined Ru-catalysts in a Two-phase Heptane/Ionic Liquid Solution: Modeling Aspects'}, year = 2021 }