17 datasets found

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.

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...

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...

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

All primary data files of measurements and processed data of the associated journal article can be found here. Raw data from physisorption measurements can be found in the...

All primary data files and processed data of the journal article from all affiliated authors to reproduce all simulations and figures used in the main text and supporting...

All primary data files and processed data of the journal article from Dyballa group. This Dataset contains the measurement results from ICP-OES , N2-Physisorption, MAS-NMR and...

The data are associated with the open access article "Moisture tolerant solar cells by encapsulating 3D perovskite with long-chain alkylammonium cation-based 2D perovskite"...

The research study investigated the free energy landscape of HCN oligomerization through competing pathways. The research data consists of results from quantum chemical...

Results of quantum computer simulations, using the Variational Quantum Eigensolver (VQE). The dataset contains data calculated using various parameters and settings. The goal of...