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1 to 6 of 6 Results
Mar 29, 2021
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'",, 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...
Feb 10, 2021 - Molecular Simulation
Kraus, Hamzeh, 2021, "Supplementary material for 'PoreMS: A software tool for generating silica pore models with user-defined surface functionalisation and pore dimensions'",, DaRUS, V1
This dataset contains Jupiter Notebooks and the necessary structure files needed for generating the pore systems discussed in the related publication. Additionally, high-resolution figures discussed in the paper are added.
Mar 20, 2020 - Molecular Simulation
Kraus, Hamzeh; Rybka, Julia, 2019, "Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'",, DaRUS, V2
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology and simulation parameter-files are provided for two simulations - an unmodified pore with a silanol surface and a modified pore with an unpolar DMDMS surface...
Molecular Simulation(Universität Stuttgart)
Oct 15, 2019
Dataverse concerning Molecular simulation studies.
Oct 2, 2019 - Educational Research
Braun, Thorsten, 2019, "Evaluation Research for Study Success Requirements ITT 2014/15",, DaRUS, V1, UNF:6:IB3adVcIN2EavaLCev7Izw== [fileUNF]
This dataset contains raw data variables gathered during an educational research project for the Institute of Thermodynamics and Thermal Process Engineering (ITT) at the University of Stuttgart, 2014 until 2015. The project focused on requirements of study success and collected a...
Educational Research(Universität Stuttgart)
Sep 23, 2019
Research data on teaching and learning at the ITT.
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