6,029 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. The files...

In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations and solid-state NMR calculations. The folders with the...

All primary data files related to the publication. Procedures, recation conditions and used analytical equipment is discussed in detail in the experimental section or the...

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 includes proton nuclear magnetic resonance data from catalytic investigations, scanning electron microscopy images of the ordered mesoporous silica particles, gas...

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 is...

All primary data files related to the publication. Procedures, recation conditions and used analytical equipment is discussed in detail in the experimental section or the...

The files include the NMR data of the novel complexes and cif files of the single crystal X-ray structure of selected structures. Experimental details could be found in the...

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

All primary data files related to the publication. Procedures, recation conditions and used analytical equipment is discussed in detail in the experimental section or the...

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

GROMACS molecular simulation input files for slit nanopores filled with liquid water. Initial configuration can be generated using the Python script build_system.py. Use the...

All primary data files related to the publication. Procedures, reaction conditions and used analytical equipment is discussed in detail in the experimental section or the...

Raw Data on the compressive strength measurements of concrete samples that have been evaluated as follows: The goal is to investigate the influence of different mixing...

This dataset contains three types of data: 1) Jupyter notebooks (.ipynb) for the calculation of solvation free energies and for the recreation of all figures in the publication;...

This file contains the NMR- and UV/Vis data relevant to the publication given in the title. This data was produced in the course of our work on alumina immobilized Cu catalysts...

All primary data files of measurements and processed data of the journal article mentioned under related publications from Estes group can be found here. The data (mainly NMR...

Olefin Metathesis under Spatial Confinement and Continuous Flow: We study olefin metathesis with a focus on isomers formed as by-products. For that purpose, a 2D-LC/MS system is...

This data collection contains additional data related to Weirich et al.: "Discovery of new NSD2 non-histone substrates and design of a super-substrate". This includes Modelled...

Supplementary material is provided for the Transferable Anisotropic Mie Potential Force Field for Alkanediols, including files for rerunning TURBOMOLE DFT calculations for...