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Supplementary material for "Unlocking Hydrogen’s Potential: Prediction of Ads... Dataset
The data that support the findings of the article "Unlocking Hydrogen’s Potential: Prediction of Adsorption in Metal-Organic Frameworks for Sustainable Energy Storage". The... -
Supplementary material for "GPU-accelerated classical density functional theo... Dataset
The data that support the findings of the article "Classical density functional theory for alkane adsorption in cationic Faujasites: comparison with grand canonical Monte Carlo... -
Replication Data for: "Crystalline porous frameworks based on double extensio... Dataset
All primary data files of the journal article mentioned can be found here. The data is structured by materials. The characterization data of each material are located in the... -
Replication Data for: "Downsizing Porphyrin Covalent Organic Framework Partic... Dataset
All primary data files of the journal article mentioned can be found here. The data is structured by the materials, electrodes, and models. The characterization data of each... -
Replication data of Lotsch group for: "Postsynthetic Transformation of Imine-... Dataset
Herein, we report a facile postsynthetic linkage conversion method giving synthetic access to nitrone-linked covalent organic frameworks (COFs) from imine- and amine-linked... -
Supplementary material for 'Probing Self-Diffusion of Guest Molecules in a Co... Dataset
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... -
Movies of thin film water on rough NaCl surface Dataset
Videos showing water molecules at a rough sodium chloride solid surface for different roughness and different water chemical potential. The force field for the water is... -
Movies of thin film water on NaCl(100) surface Dataset
Videos showing water molecules at a sodium chloride (NaCl) solid surface for different water content. The force field for the water is TIP4P/epsilon... -
Publication data for: "Confinement and surface sites control methanol adsorba... Dataset
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. -
Supplementary material for 'Influence of Layer Slipping on Adsorption of Ligh... Dataset
This dataset contains results from Grand Canonical Monte Carlo (GCMC) Simulation (data/isotherms_sim/) and experiment (data/isotherms/exp). All Data is presented in a jupyter... -
Supplementary material for 'An atomistic view on the uptake of aromatic compo... Dataset
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter files are provided for all...
