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Dataset belonging to the publication "Interfacial rheology of polyelectrolyte... Dataset
This dataset contains the data on which the publication "Interfacial rheology of polyelectrolyte microgel monolayers: correlation between mechanical properties and phase... -
Data belonging to the publication "Understanding the Monomer Deuteration Effe... Dataset
All optimized molecular geometries and multi-angle dynamic light scattering measurements. -
Data belonging to the publication "DISSOLVE: Database of ionic solutes’ solva... Dataset
Optimized geometries of the charged and neutral solutes as well as all the numerical values of gas phase acidities, solvation free energies, and pKa values -
Analytical data belonging to the publication: "Self-healing of charged nanoge... Dataset
Small-angle X-ray scattering (SAXS) -
DFT Optimised coordinates to the publication "Manipulating Electron Transfer ... Dataset
The manuscript deals with the influence of different substituents of guanidine quinoline ligands on the electron transfer properties of the corresponding Cu(I) and Cu(II)... -
Data from "Extremely Small Twist Elastic Constants in Lyotropic Nematic Liqui... Dataset
Depolarized dynamic light scattering (DDLS) data, fit routine & fitting results -
Scripts for "Assessing the validity of NMR relaxation rates obtained from coa... Dataset
Simulations and data analysis scripts for the publication "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations". The dataset contains two... -
Pre-trained and fine-tuned ANI models for: Transfer learning for chemically a... Dataset
Pre-trained and fine-tuned ANI models using the Gaussian Moments Neural Network (GM-NN) approach. Code for GM-NN implemented within the Tensorflow framework, including the... -
Molecular simulation scripts for slit nanopores Dataset
GROMACS molecular simulation input files for slit nanopores made of NaCl and Na2SO4 solid walls, and filled with respectively NaCl and Na2SO4 solutions. Initial configuration... -
Molecular simulation scripts for bulk solutions Dataset
GROMACS molecular simulation input files for bulk solutions of NaCl and Na2SO4. Initial configuration with different salt concentration can be generated using the Python script... -
Viscosities of experimental aqueous glycerol mixtures Dataset
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... -
Viscosities of experimental aqueous methanol mixtures Dataset
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... -
Self-diffusion coefficients of experimental aqueous glycerol mixtures Dataset
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... -
Tracer-diffusion coefficients of experimental aqueous methanol mixtures Dataset
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... -
Densities of experimental aqueous methanol mixtures Dataset
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... -
Densities of experimental aqueous glycerol mixtures Dataset
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... -
Self-diffusion coefficients of simulated aqueous glycerol mixtures Dataset
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... -
Self-diffusion coefficients of simulated aqueous methanol mixtures Dataset
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... -
Densities of simulated aqueous glycerol mixtures Dataset
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... -
Densities of simulated aqueous methanol mixtures Dataset
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...
