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1 to 10 of 18 Results
SFB 1333 A2 - Ludwigs group, IPOC-FP(Universität Stuttgart)
Dec 11, 2020
In this dataverse you can find all research data related to publications of the group generated within the context of CRC 1333.
Supplementary material for 'Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory'
Mar 29, 2021 - Institute of Thermodynamics and Thermal Process Engineering
Sauer, Elmar; Gross, Joachim, 2021, "Supplementary material for 'Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory'", https://doi.org/10.18419/darus-1643, DaRUS, V1
This dataset contains simulation results in ASCII format accompanying the mentioned publication. The filename is structured in the following kind: Number of the figure in which the data is shown, method of simulation (TMMC Transition Matrix Monte Carlo, DFT Density Functional The...
SFB 1333 A4 - Bruckner group(Universität Stuttgart)
Apr 8, 2021
In this dataverse you can find all research data related to publications of the group generated within the context of CRC 1333.
SFB 1333 C6 - Holm group, ICP(Universität Stuttgart)
Apr 8, 2021
In this dataverse you can find all research data related to publications of the group generated within the context of CRC 1333.
Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
Apr 29, 2021 - Molecular Simulation
Kobayashi, Takeshi; Kraus, Hamzeh; Hansen, Niels; Fyta, Maria, 2021, "Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'", https://doi.org/10.18419/darus-1138, DaRUS, V1
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 t...
Data for: "Towards Highly Conducting Bicarbazole Redoxpolymer Films with Plateau-like Conductivities"
Data for: "Towards Highly Conducting Bicarbazole Redoxpolymer Films with Plateau-like Conductivities"
May 5, 2021 - SFB 1333 A2 - Ludwigs group, IPOC-FP
Malacrida, Claudia, 2021, "Data for: "Towards Highly Conducting Bicarbazole Redoxpolymer Films with Plateau-like Conductivities"", https://doi.org/10.18419/darus-1418, DaRUS, V1, UNF:6:Ebm2wQEvxBy8vaBQ9pPnuQ== [fileUNF]
The dataset for this publication explains conductivity dependency on doping levels achieved by chemical or electrochemical doping on crosslinkable Carbazole or Triarylamine units presenting Structure Property Relationships. Conductivities are measured via 4-point probe and electr...
Replication data of Gießelmann/Bruckner group for: "Mechanisms and Intermediates in the True Liquid Crystal Templating Synthesis of Mesoporous Silica Materials"
Replication data of Gießelmann/Bruckner group for: "Mechanisms and Intermediates in the True Liquid Crystal Templating Synthesis of Mesoporous Silica Materials"
May 5, 2021 - SFB 1333 A4 - Bruckner group
Bruckner, Johanna R.; Beurer, Ann-Katrin, 2021, "Replication data of Gießelmann/Bruckner group for: "Mechanisms and Intermediates in the True Liquid Crystal Templating Synthesis of Mesoporous Silica Materials"", https://doi.org/10.18419/darus-1826, DaRUS, V1
All primary data files of measurements and processed data of the associated journal article can be found here. Raw data from physisorption measurements can be found in the dataset of the Traa group. The data is structured according to experiment type and the material investigated...
Supplementary material for 'Adsorption of Light Gases in Covalent Organic Frameworks: Comparison of Classical Density Functional Theory and Grand Canonical Monte Carlo Simulations'
Supplementary material for 'Adsorption of Light Gases in Covalent Organic Frameworks: Comparison of Classical Density Functional Theory and Grand Canonical Monte Carlo Simulations'
Jul 12, 2021 - Institute of Thermodynamics and Thermal Process Engineering
Kessler, Christopher; Eller, Johannes; Gross, Joachim; Hansen, Niels, 2021, "Supplementary material for 'Adsorption of Light Gases in Covalent Organic Frameworks: Comparison of Classical Density Functional Theory and Grand Canonical Monte Carlo Simulations'", https://doi.org/10.18419/darus-1775, DaRUS, V1, UNF:6:kTnkyWKU1qxxwfkXXMvp8w== [fileUNF]
This dataset contains results from classical Density Functional Theory (DFT) and Grand Canonical Monte Carlo (GCMC) Simulation. We report excellent agreement between the fluid theoretical approach (DFT), which is a more coarse grained approach and stochastic simulation (GCMC) on...
Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'
Apr 26, 2022 - Institute of Thermodynamics and Thermal Process Engineering
Kessler, Christopher; Schuldt, Robin; Emmerling, Sebastian; Lotsch, Bettina; Kästner, Johannes; Gross, Joachim; Hansen, Niels, 2022, "Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'", https://doi.org/10.18419/darus-2308, DaRUS, V1, UNF:6:ifmtNZEZHi+MkSvB5rd1dw== [fileUNF]
This dataset contains results from Grand Canonical Monte Carlo (GCMC) Simulation (data/isotherms_sim/) and experiment (data/isotherms/exp). All Data is presented in a jupyter notebook and for a fast overview without executing the notebook also as pdf-file. Furthermore the dataset...
Data for: FAIR and scalable management of small-angle X-ray scattering data
Jun 9, 2022 - SFB 1333 A4 - Bruckner group
Giess, Torsten; Itzigehl, Selina; Range, Jan Peter; Bruckner, Johanna R.; Pleiss, Jürgen, 2022, "Data for: FAIR and scalable management of small-angle X-ray scattering data", https://doi.org/10.18419/darus-2842, DaRUS, V1
This dataset contains small-angle X-ray scattering (SAXS) measurements on various octyltrimethylammonium bromide (OTAB)/water and octyltrimethylammonium chloride (OTAC)/water mixtures at different mass fractions and temperatures, as well as analysis and visualization data thereof...
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