1 to 10 of 47 Results
Mar 1, 2024 - A01: Molecular detail in fluid simulations: Density Functional Theory within component and momentum balances
Bursik, Benjamin; Eller, Johannes; Gross, Joachim, 2024, "Supporting Information: Notebooks, Solute Configurations and Solvation Free Energy Data", https://doi.org/10.18419/darus-3756, DaRUS, V1, UNF:6:0QTV2eSt2s5RktyiTCTmAg== [fileUNF]
This dataset contains three types of data: 1) Jupyter notebooks (.ipynb) for the calculation of solvation free energies and for the recreation of all figures in the publication; 2) Gromacs files containing the solute and solvent topology (.gro, .itp, .top), the trajectories (.trr... |
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 experimental aqueous methanol mixtures", https://doi.org/10.18419/darus-3116, 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 experimental aqueous glycerol mixtures", https://doi.org/10.18419/darus-3117, 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, "Tracer-diffusion coefficients of experimental aqueous methanol mixtures", https://doi.org/10.18419/darus-3118, 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 experimental aqueous glycerol mixtures", https://doi.org/10.18419/darus-3119, 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, "Viscosities of experimental aqueous methanol mixtures", https://doi.org/10.18419/darus-3120, 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, "Viscosities of experimental aqueous glycerol mixtures", https://doi.org/10.18419/darus-3121, 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... |