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1 to 10 of 11 Results
Data for Inserting Three-Coordinate Nickel into [4Fe-4S] Clusters
Oct 3, 2024
Fataftah, Majed; Wilson, Daniel W. N.; Mathe, Zachary; Gerard, Theodore; Mercado, Brandon; DeBeer, Serena; Holland, Patrick, 2024, "Data for Inserting Three-Coordinate Nickel into [4Fe-4S] Clusters", https://doi.org/10.17617/3.FV4QYX, Edmond, V1
Experimental and computational data supporting the publication "Inserting Three-Coordinate Nickel into [4Fe-4S] Clusters", published October 2024 in ACS Central Science: https://doi.org/10.1021/acscentsci.4c00985. Experimental data include Mössbauer, XAS, UVVIS, IR, EPR, NMR, CV,...
Experimentally assessing the electronic structure and spin state energetics in MnFe dimers using 1s3p resonant inelastic X-ray scattering
Sep 16, 2024
G. Castillo, Rebeca; Van Kuiken, Benjamin; Weyhermüller, Thomas; DeBeer, Serena, 2024, "Experimentally assessing the electronic structure and spin state energetics in MnFe dimers using 1s3p resonant inelastic X-ray scattering", https://doi.org/10.17617/3.B8I2LJ, Edmond, V1
Data set per figure.
Probing the local environment in potassium salts and potassium-promoted catalysts by potassium valence-to-core X-ray emission spectroscopy
Aug 20, 2024
Rana, Atanu; Peredkov, Sergey; Behrens, Malte; DeBeer, Serena, 2024, "Probing the local environment in potassium salts and potassium-promoted catalysts by potassium valence-to-core X-ray emission spectroscopy", https://doi.org/10.17617/3.TTWAOX, Edmond, V1
we perform a systematic calibration study on a series of potassium salts in order to establish the information content of Kβ and VtC XES. The sensitivity of the K VtC XES to ligand identity and potassium-ligand distance is established. Our experimental results are correlated to d...
Molecular Hybrid Materials for Selective CO2 Electroreduction to Multicarbon Products
Aug 9, 2024
Gil Sepulcre, Marcos, 2024, "Molecular Hybrid Materials for Selective CO2 Electroreduction to Multicarbon Products", https://doi.org/10.17617/3.IIUVR9, Edmond, V1
X-ray absorption spectroscopy: RAW data
Valence-to-Core X-Ray Emission Spectroscopy of Transition Metal Tetrahalides: Mechanisms Governing Intensities
Jul 8, 2024
Römelt, Christina; Peredkov, Sergey; Neese, Frank; Roemelt, Michael; DeBeer, Serena, 2024, "Valence-to-Core X-Ray Emission Spectroscopy of Transition Metal Tetrahalides: Mechanisms Governing Intensities", https://doi.org/10.17617/3.JECRGR, Edmond, V1
This dataset proviedes raw data associated with the corresponding publication. The raw data include the data for reproduction of all figures, xes raw data and input as well as xyz files needed for reproducing the calculations.
Data for Three-Coordinate Nickel and Metal-Metal Interactions in a Heterometallic Iron-Sulfur Cluster
Jun 5, 2024
Wilson, Daniel W. N.; Fataftah, Majed; Mathe, Zachary; Mercado, Brandon; DeBeer, Serena; Holland, Patrick, 2024, "Data for Three-Coordinate Nickel and Metal-Metal Interactions in a Heterometallic Iron-Sulfur Cluster", https://doi.org/10.17617/3.A8DJMK, Edmond, V3
Experimental and computational data supporting the publication "Three-Coordinate Nickel and Metal-Metal Interactions in a Heterometallic Iron-Sulfur Cluster", published February 2024 in J. Am. Chem. Soc.: https://doi.org/10.1021/jacs.3c12157. Experimental data include Mössbauer,...
PINK: a tender X-ray beamline for X-ray emission spectroscopy
Feb 26, 2024
Peredkov, Sergey, 2024, "PINK: a tender X-ray beamline for X-ray emission spectroscopy", https://doi.org/10.17617/3.4ZB7ZR, Edmond, V1
Data for the publication. Figures: 2-4, 6,7,10-14
Surface charge accumulation drives multihole oxygen evolution reaction on α-Fe2O3 photoanodes
Aug 26, 2022
Jones, Travis; Piccinin, Simone; Teschner, Detre, 2022, "Surface charge accumulation drives multihole oxygen evolution reaction on α-Fe2O3 photoanodes", https://doi.org/10.17617/3.XYOGI0, Edmond, V2
The clinical drug candidate anle138b binds in a cavity of lipidic α-synuclein fibrils
Aug 9, 2022
Antonschmidt, Leif; Dirk Matthes; Rıza Dervişoğlu; Benedikt Frieg; Christian Dienemann; Andrei Leonov; Evgeny Nimerovsky; Vrinda Sant; Sergey Ryazanov; Armin Giese; Gunnar Schröder; Stefan Becker; Bert L. de Groot; Christian Griesinger; Loren B. Andreas, 2022, "The clinical drug candidate anle138b binds in a cavity of lipidic α-synuclein fibrils", https://doi.org/10.17617/3.9C6TEW, Edmond, V1
This dataset includes NMR spectra raw data generated in this study, Negative stain EM micrographs for αSyn fibrils in the presence of anle138b and mass spectrometry data for the synthesis of selectively labelled α-synuclein and 13C- and 15N-labelled anle138b, respectively. Solid-...
Data for "Stabilization of Intermediate Spin-States in Mixed-valent Diiron Dichalcogenide Complexes"
Dec 1, 2021
Cutsail, George; Henthorn, Justin; Weyhermüller, Thomas; DeBeer, Serena, 2021, "Data for "Stabilization of Intermediate Spin-States in Mixed-valent Diiron Dichalcogenide Complexes"", https://doi.org/10.17617/3.7n, Edmond, V1
Experimental data and processing scripts for publication of "Stabilization of Intermediate Spin-States in Mixed-valent Diiron Dichalcogenide Complexes"
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