Subject: Chemistry
Funding Information Identifier: EXC 2075 - 390740016
License: CC BY 4.0
Publication Year: 2022
1 to 10 of 16 Results
Oct 28, 2022 - ThermoML
Gültig, Matthias; Range, Jan Peter; Schmitz, Benjamin; Pleiss, Jürgen, 2022, "Self-diffusion coefficients of simulated aqueous glycerol mixtures", https://doi.org/10.18419/darus-3115, DaRUS, V1
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the standard data exchange format ThermoML. The practicability of integrating thermophysical data from experi... |
Oct 28, 2022 - ThermoML
Gültig, Matthias; Range, Jan Peter; Schmitz, Benjamin; Pleiss, Jürgen, 2022, "Densities of simulated aqueous methanol mixtures", https://doi.org/10.18419/darus-3112, DaRUS, V1
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the standard data exchange format ThermoML. The practicability of integrating thermophysical data from experi... |
Oct 28, 2022 - ThermoML
Gültig, Matthias; Range, Jan Peter; Schmitz, Benjamin; Pleiss, Jürgen, 2022, "Self-diffusion coefficients of simulated aqueous methanol mixtures", https://doi.org/10.18419/darus-3114, DaRUS, V1
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the standard data exchange format ThermoML. The practicability of integrating thermophysical data from experi... |
Oct 28, 2022 - ThermoML
Gültig, Matthias; Range, Jan Peter; Schmitz, Benjamin; Pleiss, Jürgen, 2022, "Densities of simulated aqueous glycerol mixtures", https://doi.org/10.18419/darus-3113, DaRUS, V1
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the standard data exchange format ThermoML. The practicability of integrating thermophysical data from experi... |
Aug 26, 2022 - Institute of Thermodynamics and Thermal Process Engineering
Zimmermann, Nils Edvin Richard; Guevara-Carrion, Gabriela; Vrabec, Jadran; Hansen, Niels, 2022, "Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state'", https://doi.org/10.18419/darus-2996, DaRUS, V2
Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state' (N. E. R. Zimmermann, G. Guevara-Carrion, J. Vrabec, N. Hansen, Adv. Theory Simul., 2022) containing scripts, packages, and files to re-create and... |
Jul 12, 2022 - Publication: Enzymatically induced carbonate precipitation
Ruf, Matthias; Hommel, Johannes; Steeb, Holger, 2022, "Enzymatically induced carbonate precipitation and its effect on capillary pressure-saturation relations of porous media - micro-XRCT dataset of low column (sample 10)", https://doi.org/10.18419/darus-2908, DaRUS, V1, UNF:6:lD3UlWjZQRaGPURMuWejpw== [fileUNF]
This dataset contains a micro X-ray Computed Tomography (micro-XRCT) data set (projection, reconstructed, and segmented images) from a sintered glass beads column packing with enzymatically induced carbonate precipitation. The prepared sintered glass beads column sample has a dia... |
Jul 12, 2022 - Publication: Enzymatically induced carbonate precipitation
Ruf, Matthias; Hommel, Johannes; Steeb, Holger, 2022, "Enzymatically induced carbonate precipitation and its effect on capillary pressure-saturation relations of porous media - micro-XRCT dataset of high column (sample 4)", https://doi.org/10.18419/darus-2907, DaRUS, V1, UNF:6:ZBzSpg62B7xn5d+OtyUilg== [fileUNF]
This dataset contains micro X-ray Computed Tomography (micro-XRCT) data sets (projection, reconstructed, and segmented images) from a sintered glass beads column packing with enzymatically induced carbonate precipitation. The prepared sintered glass beads column sample has a diam... |
Jul 11, 2022 - Publication: Enzymatically induced carbonate precipitation
Ruf, Matthias; Hommel, Johannes; Steeb, Holger, 2022, "Enzymatically induced carbonate precipitation and its effect on capillary pressure-saturation relations of porous media - micro-XRCT dataset of medium column (sample 3)", https://doi.org/10.18419/darus-2906, DaRUS, V1, UNF:6:jlP3pZtBY1BpGYRex5PnqA== [fileUNF]
This dataset contains a micro X-ray Computed Tomography (micro-XRCT) data set (projection, reconstructed, and segmented images) from a sintered glass beads column packing with enzymatically induced carbonate precipitation. The prepared sintered glass beads column sample has a dia... |
Fleck, Maximilian; Markthaler, Daniel; Stankiewicz, Bartosz; Hansen, Niels, 2022, "Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction'", https://doi.org/10.18419/darus-2132, DaRUS, V1, UNF:6:8wyFNcxoOTcKA+4ZpSWLAg== [fileUNF]
Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction' containing files to (re-)execute GROMACS simulations performed during the mutation study. This dataset contains simulation input files in GROMACS format accompanying the mention... |
Feb 15, 2022 - EnzymeML at work
Pinto, Maria Filipa, 2022, "Catalysis of L-cysteine by IscS in the presence of IscU", https://doi.org/10.18419/darus-2483, DaRUS, V1
Measured was the reaction from cysteine to alanine by the Cysteine desulfurase, for six different initial concentrations of cysteine. The data consists of three data points over the course of 2.5 minutes for alanine. Additionally, the concentration of cysteine over time was calcu... |
