6,495 datasets found

In this dataset all HPLC (high performance liquid chromatography) chromatograms and NMR spectra of O,N- and C,N-chelates, intermediates, ate-complexes and borates of the...

This dataset contains simulation input files in GROMACS format accompanying the mentioned publication as well as GC-MS and NMR data. We recommend viewing the data by choosing...

In this study, synthesis and cleavage reactions catalysed by S-adenosyl-L-homocysteine hydrolases originating from different domains of life were investigated. The reactions...

In this dataset, all optimized geometries from the calculations are listed. The files are given in xyz-format.

Data for reproducibility of the numerical simulations of the research paper "ddX: Polarizable Continuum Solvation from Small Molecules to Proteins".

Simulation input scripts used for "Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials" The folders the corresponding...

The incorporation of molecular machines into the backbone of porous framework structures will facilitate nano actuation, enhanced molecular transport, and other...

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...

Kinetic parameter estimates for small laccase (SLAC) catalyzed oxidation of ABTS, investigated across the temperature range between 25 °C and 45°C. This dataset contains the...

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

This dataset contains raw and processed data corresponding to all the atomic force microscopy (AFM), scanning electron microscopy (SEM), polarization-modulation infrared...

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

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...

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 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...

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;...

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...

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...

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...