46 datasets found

Data-driven approaches used to predict thermophysical properties benefit from physical constraints because the extrapolation behavior can be improved and the amount of training...

This dataset holds all measurement data, as well as the evaluation and plotting scripts to replicate all figures of the paper. Please refer to the README.md file for more...

All primary data files of measurements and processed data of the journal article "Comparative study of lattice parameter and pore size of ordered mesoporous silica materials...

Underlying data for figures in the publication "Fast, slow and reverse polymorph transformations in thin films of a 5,10-dihydroindolo[3,2-b]indole derivative"

Data for the Publication Impact of N on the Stacking Fault Energy and Phase Stability of FCC CrMnFeCoNi: An Ab Initio Study The dataset contains the DFT data (VASP OUTCARs)...

Files and structures for performing all-atom molecular dynamics simulations of UiO-67 and UiO-67-based structures filled with Methanol and reactant and product molecules.

All primary data files of measurements and processed data of the journal article mentioned under related publications from Estes group can be found here. Data from collaborating...

This dataset contains simulation input files, topologies and coordinate files in GROMACS format accompanying the mentioned publication. With the provided Jupyter notebooks the...

Replication Data for: Wetting behavior in the inertial phase of droplet impacts onto sub-millimeter microstructured surfaces, published in the Journal of Colloid and Interface...

This dataset contains simulation input files in GROMACS format accompanying the mentioned publication as well as GC-MS and NMR data. We recommend viewing the data by choosing...

In this dataset, all simulation data are listed. That includes all geometry optimized structures as xyz-files and all input-files for the calculations as chm-files.

This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files (directory mdp) are...

This dataset contains input files and results from Grand Canonical Monte Carlo (GCMC) adsorption simulation and Molecular Dynamics (MD) Simulation. All data is presented in a...

All primary data files and processed data of the journal article from C1 - Dyballa group. Containing MAS NMR, N2 physisorption and XRD data. The NMR data (.dx file) can be...

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....

Primary data files of measurements and processed data of the journal article mentioned under related publications from Dyballa group can be found here. This comprises MAS-NMR,...

This dataset contains small-angle X-ray scattering (SAXS) measurements on various octyltrimethylammonium bromide (OTAB)/water and octyltrimethylammonium chloride (OTAC)/water...

All primary data files and processed data of the journal article from C1 group. Containing MAS NMR and IR data. NMR data (.dx-file) can be opened with Topspin.

All primary data files and processed data of the journal article "The alumination mechanism of porous silica materials and properties of derived ion exchangers and acid...

All primary data files of measurements and processed data (GPC, 1H-NMR, deconvoluted SAXS, nitrogen physisorption) of the associated journal article can be found here. The data...