-
Role of powders and coatings ... incomplete - Raw data
Provided data: Folder: Catalyst state and conversion - XAS -XAS: Columns within the files: 1) Energy (DCM_2Pitch) 2) Detector before sample (Ioni1) 3) Detector behind sample... -
Data for "Understanding the P-Cluster of Vanadium Nitrogenase: an EPR and XAS...
Experimental data supporting the publication "Understanding the P-Cluster of Vanadium Nitrogenase: an EPR and XAS Study of the Holo vs. Apo Forms of the Enzyme", published 15... -
Data for Inserting Three-Coordinate Nickel into [4Fe-4S] Clusters
Experimental and computational data supporting the publication "Inserting Three-Coordinate Nickel into [4Fe-4S] Clusters", published October 2024 in ACS Central Science:... -
Data for Three-Coordinate Nickel and Metal-Metal Interactions in a Heterometa...
Experimental and computational data supporting the publication "Three-Coordinate Nickel and Metal-Metal Interactions in a Heterometallic Iron-Sulfur Cluster", published February... -
StoBe Windows download
This dataset has no description
-
StoBe Linux download
StoBe installation package for Linux -
Influence of carbon on the dynamic changes in Co oxidation state of Ba<sub>0....
Carbon is often used as a conductive additive in catalyst layers to increase conductivity and catalytic activity. However, the effect of carbon addition to perovskites on the... -
First principles correction scheme for linear-response time-dependent density...
Linear-response time-dependent density functional theory (LR-TDDFT) for core level spectroscopy using standard local functionals suffers from self-interaction error and a lack... -
Efficient and low-scaling linear-response time-dependent density functional t...
A new implementation of linear-response time-dependent density functional theory (LR-TDDFT) for core level near-edge absorption spectroscopy is discussed. The method is based on... -
First principles correction scheme for linear-response time-dependent density...
Linear-response time-dependent density functional theory (LR-TDDFT) for core level spectroscopy using standard local functionals suffers from self-interaction error and a lack...
