80 datasets found

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.

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...

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...

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

This dataset includes the computational and experimental data for the publication: "Molecular Dynamics of the Intrinsically Disordered Protein COR15A – A Force Field Validation...

High field magnetic resonance of nuclear spins is normally carried out at or near the Larmor frequency $\Omega_0$. Here, we report the first observation of nonsecular nuclear...

Bacterial cell walls are gigadalton-large cross-linked polymers with a wide range of motional amplitudes, including rather rigid as well as highly flexible parts. Magic-angle...

All the modified pulses shapes and pulse programs from the manuscript "Optimal control pulses for Bloch-Siegert shift free NMR experiments". The folder pp_for_paper contain...

Structure determination of amorphous materials remains challenging, owing to the disorder inherent to these materials. Nuclear magnetic resonance (NMR) powder crystallography is...