83 datasets found

Protein turnover is highly energy consuming and overall relates to an organism's growth performance varying largely between species, e.g., due to pre-adaptation to environmental...

OVERVIEW: This dataset includes the experimental NMR data of the publication "Complete NMR assignment for 275 of the most common dipeptides in intrinsically disordered...

31P MAS NMR data obtained on condensation products of the phosphonate GTUB5 The subdirectories contain the raw data obtained on Bruker NMR spectrometers with the software...

Mechanical components for achieving an unstable emulsion inside an NMR probehead are described. The files are files useful for 3D printing according to the STL standard.

Taming the Captodative Glycyl Radical for Nickel-Photocatalytic Cross-Coupling with Alkyl Chlorides. The captodatively stabilized glycyl radical was engaged in nickel...

Structure determination of molecular solids through NMR crystallography relies on the generation of a comprehensive set of candidate crystal structures and on the comparison of...

The dataset comprises analytical data for the characterization of the synthesized compounds and computational studies.

Datasets of the figures shown in the article with the same title as this submission. Original manuscript submitted to The Journal of Chemical Physics in October 2025. Revised...

All primary data files of measurements and processed data of the journal article mentioned can be found here. This dataset contains the ¹H, ¹⁹F, and ¹³C NMR spectra of all the...

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.

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...

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...

The dataset comprises analytical data for the characterization of the synthesized compounds and computational studies.

This dataset contains the full supporting material belonging to the PhD thesis of Marcel Eleveld titled “Departure From Randomness: Expanding the Structure Space of...

<div> <p><span><span lang="EN-US">PROTACs are of high interest because of their ability to target previously challenging disease-related proteins....

This dataset contains the analytical data of 20 amphipathic, tetrasubstituted hydantoin derivatives and derivatives of four additional heterocycles, as wells as all the...

Nuclear Magnetic Resonance (NMR) chemical shifts are powerful probes of local atomic and electronic structure that can be used to resolve the structures of powdered or amorphous...

Data on which the figures and findings of the article are based

This item contains raw, NMR and IR data relating to the corresponding publication as well as processed PDFs of the MS files.  Data gathered by AJ and MW at Cardiff University,...

Predicting observable quantities from first principles calculations is the next frontier within the field of machine learning (ML) for materials modelling. While ML models have...