1 to 9 of 9 Results
Jul 9, 2026
Kochs, Johannes F.; Römer, Armin J.; Schatz, Michael; Streun, Matthias; Eichel, Rüdiger-A.; Köcher, Simone S.; Granwehr, Josef, 2026, "Replication Data for: Optimally controlled nuclear magnetic resonance (NMR) in electrochemistry: Larmor versus nutation frequency selective spin excitation for locally selective NMR experiments", https://doi.org/10.26165/JUELICH-DATA/XQT0WN, Jülich DATA, V1
A workflow combining finite element method (FEM) predictions with quantum optimal control (QOC) was used to tailor custom NMR pulses that exploit specific magnetic field distortions for selective excitation of specific sample regions affected by eddy currents in metallic componen... |
Dec 3, 2025
Kick, Anne-Christine; Schatz, Michael; Kahl, Christian; Hölscher, Markus; Eichel, Rüdiger-A.; Granwehr, Josef; Kaeffer, Nicolas; Leitner, Walter, 2025, "Replication Data for: Mapping Proton and Carbon Dioxide Electrocatalytic Reductions at a Rh Complex by In Situ Spectroelectrochemical NMR", https://doi.org/10.26165/JUELICH-DATA/KJN10U, Jülich DATA, V1
Results of spectroelectrochemical NMR and UV-Vis experiments, described in the publication: Kick A.-C. et al.: "Mapping Proton and Carbon Dioxide Electrocatalytic Reductions at a Rh Complex by In Situ Spectroelectrochemical NMR" with the following abstract: Detailed molecular lev... |
Jul 1, 2025
Valenzuela Reina, Javier; Barysch, Vera M.; Szczuka, Conrad; Köcher, Simone Swantje; Granwehr, Josef; Scheurer, Christoph, 2025, "Replication Data for: Decoding the AlPO4 and LATP surface with a combined NMR-DFT approach", https://doi.org/10.26165/JUELICH-DATA/MZPCAS, Jülich DATA, V1
Replication Data for: Decoding the AlPO4 and LATP surface with a combined NMR-DFT approach Supporting experimental and DFT data for the publication. In the accompanying publication, we combine advanced nuclear magnetic resonance (NMR) experiments and density functional theory (DF... |
May 28, 2025
Barysch, Vera; Wolff, Beatrice; Streun, Matthias; Jakes, Peter; Schleker, Peter Philipp Maria; Granwehr, Josef, 2025, "Replication Data for: Combined dynamic nuclear polarization and electron paramagnetic resonance at 0.34 Tesla to investigate electrochemical lithium deposition on copper", https://doi.org/10.26165/JUELICH-DATA/FEI8NB, Jülich DATA, V1
Replication Data for: Combined Dynamic Nuclear Polarization and Electron Paramagnetic Resonance at 0.34 Tesla to Investigate Electrochemical Lithium Deposition on Copper Supporting experimental data and simulation results for the publication DOI: 10.1038/s41598-025-01107-x In the... |
Schatz, Michael; Streun, Matthias; Jovanovic, Sven; Eichel, Rüdiger-A.; Granwehr, Josef, 2024, "Replication Data for: Workflow for Systematic Design of Electrochemical In Operando NMR Cells by Matching B0 and B1 Field Simulations with Experiments", https://doi.org/10.26165/JUELICH-DATA/KJTAXZ, Jülich DATA, V1
Results of B0 field simulations using FEMM and B1 field simulations using EMpro and NMR raw data acquired using Bruker software Topspin, described in the publication: Schatz M. et al.: Workflow for Systematic Design of Electrochemical In Operando NMR Cells by Matching B0 and B1 F... |
Jun 25, 2024
Schatz, Michael; Kochs, Johannes; Jovanovic, Sven; Eichel, Rüdiger-A.; Granwehr, Josef, 2024, "Replication Data for: Interplay of Local pH and Cation Hydrolysis during Electrochemical CO2 Reduction Visualized by In Operando Chemical Shift-Resolved Magnetic Resonance Imaging", https://doi.org/10.26165/JUELICH-DATA/DNBEIN, Jülich DATA, V1
Electrochemical data acquired with BioLogic software EC-Lab and NMR data acquired with Bruker software TopSpin during in operando CO2 electroreduction experiments, described in the publication: Schatz M. et al.: Interplay of Local pH and Cation Hydrolysis during Electrochemical C... |
Mar 19, 2024
Jovanovic, Sven; Jakes, Peter; Merz, Steffen; Daniel, Davis Thomas; Eichel, Rüdiger-A.; Granwehr, Josef, 2024, "Replication NMR Data for: In operando NMR investigations of the aqueous electrolyte chemistry during electrolytic CO2 reduction", https://doi.org/10.26165/JUELICH-DATA/0GQJFC, Jülich DATA, V1
NMR raw data of 13C and 23Na experiments for the in operando CO2 electrolysis experiments in aqueous HCO3- electrolyte, as described in the publication. The in operando electrolysis experiments were divided into 3 stages: open circuit voltage (OCV), chronoamperometry (CA) at a co... |
Daniel, Davis Thomas; Mitra, Souvik; Eichel, Rüdiger-A; Diddens, Diddo; Granwehr, Josef, 2024, "Replication Data and Code for: 'Machine learning isotropic g values of radical polymers'", https://doi.org/10.26165/JUELICH-DATA/TOBXWP, Jülich DATA, V1
This data repository contains the data sets and python scripts associated with the manuscript 'Machine learning isotropic g values of radical polymers '. Electron paramagnetic resonance measurements allow for obtaining experimental g values of radical polymers. Analogous to chemi... |
May 22, 2023
Szczuka, Conrad; Rüdiger-A. Eichel; Josef Granwehr, 2023, "Replication Data and Matlab Code for: StructureHyperfineRelations", https://doi.org/10.26165/JUELICH-DATA/UH0LM2, Jülich DATA, V1
Supporting data and scripts to the publication "Gauging the importance of structural parameters for hyperfine coupling constants in organic radicals". In the accompanying publication, we present a procedure based on a statistical approach to gauge the importance of structure para... |
