279 datasets found

This archive for reproducibility contains the datasets used to train the models, a small script to read the datasets, and the finest model. More information can be found in the...

All primary and processed data of the journal article can be found here. The data is structured according to analytical techniques. The material measured is described in a file...

Files and structures for performing all-atom molecular dynamics simulations of UiO-67 and UiO-67-based structures filled with Methanol and reactant and product molecules.

This dataset includes the NMR (1H, 19F and 13C) of the novel catalysts used in this article, the single crystal X-ray structure of a catalyst, and the proton NMR of the polymers.

NMR data for the complex 3[BArF4] from the paper as well as a cross metathesis product are reported, as this was our share of the paper. all data are deposited as csv and...

Here we provide access to the images used in our paper "Traversing Dual Realities: Investigating Techniques for Transitioning 3D Objects between Desktop and Augmented Reality...

A Et2AlCl-promoted sequential cycloaddition / conjugate hydrogenation of cyclopentadiene and 4-isopropyl-3-(3-phenylpropioloyl)oxazolidin-2-one resulting in the clean formation...

Files and structures for performing and analysing coarse-grained molecular dynamics simulations of solvent diffusion through nanoporous carbon materials.

This dataset contains the necessary code for using our spray segmentation model used in the paper, ML-based semantic segmentation for quantitative spray atomization description....

In this dataset, all simulation data are listed. That includes all geometry optimizations and preceding CREST calculations for the first monomer along the mechanism described in...

All primary data files of the journal article mentioned can be found here. The data is structured by analysis technique. All files are tagged with the corresponding material....

This dataset contains a Docker image that provides a complete computational environment for reproducing the numerical calculations presented in our manuscript. The image...

This dataset contains the complete postprocessing workflow for the manuscript "Implementation Pitfalls for Carbonate Mineral Dissolution - a Technical Note". It includes the raw...

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...

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

All primary data files associated with this publication, experimental procedures, reaction conditions, and used analytical equipment can be found in detail in the experimental...

The DaRUS repository entails and supplements the simulation data, MATLAB model and graphics for the publication: "Mechanistic Modeling of In Vivo Translation in Escherichia coli...

All primary and processed data of the journal article can be found here. The data is structured according to analytical techniques. The material measured is described in a file...

All primary data files associated with this publication, experimental procedures, reaction conditions and used analytical equipment can be found in detail in the experimental...

All primary data files of measurements and processed data of the journal article mentioned under related publications from Estes group can be found here. Data from collaborating...