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Data for: Performance of two complementary machine-learned potentials in mode...
Data for the publication "Performance of two complementary machine-learned potentials in modelling chemically complex systems", npj. Comp. Mat. This data set contains the... -
Data for Surface Immobilized Cu-1,10-Phenanthroline Complexes with α-Aminopho...
The data set contains the NMR data of the new ligands and immobilized catalyst as well as examplary NMR spectra after the catalysis as used for the determination of the yield.... -
Supplementary Material for 'Entropic barrier of water permeation through sing...
Facilitated water permeation through narrow biological channels is fundamental for all forms of life. This process involves dehydration of bulk water entering the single-file... -
Replication Data for: A Practical and Robust Zwitterionic Cooperative Lewis A...
description of synthetic efforts, spectroscopic data of all new compounds, EPR data of catalysts and potential catalytic intermediates, Xray data of reaction products and... -
Replication data for: "Comparative study of lattice parameter and pore size o...
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... -
Replication data of Lotsch group for: "Covalent Organic Framework Nanoplates ...
As covalent organic frameworks (COFs) are coming of age, the lack of effective approaches to achieve crystalline and centimeter-scale-homogeneous COF films remains a significant... -
Data from Bill group for "Imaging the Permeability and Passivation Susceptibi...
This dataset contains files in relation to the figures appearing in the journal article and supporting information. Experimental schemes, Confocal Laser Scanning Microscopy... -
Replication Data of Kästner group for: "Determination of Accessibility and Sp...
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations and the conformational sampling. Furthermore, the... -
Replication data of Dyballa group for: "Determination of Accessibility and Sp...
Solid-state NMR data of the journal article mentioned under related publications from the Dyballa group can be found here. Data from collaborating groups (A2, A4, B3, C4) can be... -
Data of B3 group for: "Determination of Accessibility and Spatial Distributio...
In this dataset HPLC (high performance liquid chromatography) chromatograms of the products of the rhodium-catalyzed 1,2-addition and NMR spectra of all prepared catalysts and... -
Supplementary material for 'Probing Self-Diffusion of Guest Molecules in a Co...
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... -
Replication data of the Buchmeiser group for: "Molybdenum Alkylidyne Silyloxy...
All primary data files of measurements and processed data of the journal article mentioned under related publications from the Buchmeiser group can be found here. The data... -
Replication data of C4 group for: "Oxo-Bridged Zr dimers as well-defined mode...
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations. The folders are named according to the nomenclature in... -
Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical S...
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter files are provided for bulk... -
Publication data for: "Hydronium Ion and Water Complexes vs. Methanol on Soli...
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... -
Replication data for: "Cationic molybdenum oxo alkylidenes stabilized by N-he...
All primary data files of measurements and processed data of the journal article mentioned under related publications from the Buchmeiser group and the Copéret gropup can be... -
Replication data for: "NO as a Reagent for Topochemical Framework Transformat...
This dataset contains all data from analytical measurements including FT-IR and UV-Vis spectra, raw XRD patterns, 1H, 13C and 15N solution and ssNMR spectra, Ar, CO2, and NO... -
Publication data of Dyballa group for: "Introducing a Novel Method for Probin...
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,... -
Data for: FAIR and scalable management of small-angle X-ray scattering data
This dataset contains small-angle X-ray scattering (SAXS) measurements on various octyltrimethylammonium bromide (OTAB)/water and octyltrimethylammonium chloride (OTAC)/water... -
Replication data of Lotsch group for: "Direct and Linker-Exchange Alcohol-Ass...
Covalent organic frameworks (COFs) are an extensively studied class of porous materials, which distinguish themselves from other porous polymers in their crystallinity and high...
