6,029 datasets found

Original data (Catalytic measurements, Characterization) of the journal article mentioned under related publications from the Dyballa group can be found here. See File...

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....

Data for the publication "Performance of two complementary machine-learned potentials in modelling chemically complex systems", npj. Comp. Mat. This data set contains the...

In this dataset HPLC (high performance liquid chromatography) chromatograms of the products of the rhodium-catalyzed 1,2-addition and NMR (nuclear magnetic resonance) spectra of...

Original data (Characterization) of the journal article mentioned under related publications from the Dyballa group can be found here.

In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations and files from the conformational sampling. Furthermore,...

This dataset includes NMR (nuclear magnetic resonance) data as raw data files, GPC (gel permeation chromatography) data as ASCII reports, and DSC (differential scanning...

Total interference reflection fluorescence microscopy (TIRF) of lipid bilayers is an effective technique for studying the lateral motion and ion channel activity of individual...

Data for the publication " Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al", Acta Materialia, 255, doi:...

This data set contains directly determined complex Poisson's ratio from axial and transversal strain measurements. Here, the axial and transverse strains were measured locally...

Data for the publication, Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition, Phys. Rev. B 108,...

This data set contains indirectly calculated complex Poisson's ratio by determining the complex Young's E and complex shear modulus G from torsion and tension measurements. The...

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

This data set contains directly determined complex Poisson's ratio from axial and transversal strain measurements. Here, the axial and transverse strains were measured locally...

This file contains titration results as well as IR, EPR, XRD, and XAS data of the reduced cerium oxide samples synthesized in the publication in the title. File structure is...

development and optimization of catalysis, mechanistic experiments, synthetic description of ligand and catalyst synthesis, application of catalysts, synthetic use of products,...

The simulation scripts and the simulation data of the journal article mentioned under related publications from C6 group can be found here. The data is structured according to...

In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations. Furthermore, the spreadsheet with the collected data is...

Herein, we report a facile postsynthetic linkage conversion method giving synthetic access to nitrone-linked covalent organic frameworks (COFs) from imine- and amine-linked...

This dataset provides 1H and 13C NMR raw data for the isolable catalysts W2, W5, W6 and W7 described in the publication "Betainic and ionic tungsten (VI) imido alkylidene...