UK Catalysis Hub Data Objects

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Repository (78)
20 data objects found

Data objects
Name: Dataset for the publication: "The methyl torsion in unsaturated compounds" published in ACS Omega (2019) by Zachariou et al. Date: 2019-11-29 00:00:00 UTC
Description: This dataset contains the information (both experimental and computational) that was the basis o...
DOI: 10.5286/edata/736 Location: https://edata.stfc.ac.uk/handle/edata/761
Article: The Methyl Torsion in Unsaturated Compounds
Name: Operando XAFS investigation on the effect of ash deposition on three-way catalyst used in Gasoline Particulate Filters and the effect of the manufacturing process on the catalytic activity.Supportinginformation Date: 2021-06-04 00:00:00 UTC
Description: Operando XAFS investigation on the effect of ash deposition on three-way catalyst used in Gasoli...
DOI: Location: https://stacks.iop.org/JPCM/33/284001/mmedia
Article: Operando XAFS investigation on the effect of ash deposition on three-way catalyst used in gasoline particulate filters and the effect of the manufacturing process on the catalytic activity
Name: Cyclohexanone monooxygenase Date: 2017-04-20 00:00:00 UTC
Description: Cyclohexanone monooxygenase
DOI: Location: http://www.uniprot.org/uniprot/Q84H73
Article: Biocatalytic Routes to Lactone Monomers for Polymer Production
Name: Cycling Rate-Induced Spatially-Resolved Heterogeneities in Commercial Cylindrical Li-Ion Batteries: Datasets Date: 2021-09-16 00:00:00 UTC
Description: Sinogram XRD-CT data used in the manuscript entitled "Cycling Rate-Induced Spatially-Resolved He...
DOI: 10.5281/zenodo.5172980 Location: https://zenodo.org/record/5172980
Article: Cycling Rate‐Induced Spatially‐Resolved Heterogeneities in Commercial Cylindrical Li‐Ion Batteries
Name: DLSR datasets Date: 2020-11-20 00:00:00 UTC
Description: Simulated and experimental xrd-ct datasets used for the Topas implementation of the DLSR algorithm
DOI: 10.5281/zenodo.4059828 Location: https://zenodo.org/record/4059828
Article: DLSR: a solution to the parallax artefact in X-ray diffraction computed tomography data
Name: Dataset for 'PrFeO3 photocathodes prepared through spray pyrolysis' Date: 2020-02-10 00:00:00 UTC
Description: PrFeO3 (PFO) has been shown to be an active photochemical water reduction in slurry reactors, bu...
DOI: 10.15125/bath-00708 Location: https://researchdata.bath.ac.uk/708/
Article: PrFeO 3 Photocathodes Prepared Through Spray Pyrolysis
Name: Raw data from this publication are available from the following DOI: 10.5522/04/20171153. Date: 2022-07-13 00:00:00 UTC
Description: Raw data from this publication are available from the following DOI: 10.5522/04/20171153.
DOI: 10.5522/04/20171153 Location: https://rdr.ucl.ac.uk/articles/dataset/Raw_data_from_publication_entitled_Resolving_the_effect_of_oxygen_vacancies_on_Co_nanostructures_using_soft_XAS_X-PEEM/20171153
Article: Resolving the Effect of Oxygen Vacancies on Co Nanostructures Using Soft XAS/X-PEEM
Name: Free energy for drug-protein binding from human-guided atomistic simulations in virtual reality - Supplementary Files Date: 2022-06-18 00:00:00 UTC
Description: iMD-VR trajectories, narupa inputs, system parameters, and umbrella sampling data. Information a...
DOI: 10.5281/zenodo.6659616.svg Location: https://zenodo.org/records/6659616
Article: Free energy along drug-protein binding pathways interactively sampled in virtual reality
Name: pnas.1918936117.sapp.pdf Date: 2020-03-09 00:00:00 UTC
Description: Supporting Information Appendix (PDF)
DOI: Location: https://www.pnas.org/doi/suppl/10.1073/pnas.1918936117/suppl_file/pnas.1918936117.sapp.pdf
Article: Visualizing the protons in a metalloenzyme electron proton transfer pathway
Name: Reductive site-selective atypical C,Z-type / N2–C2 cleavage allows C-terminal protein amidation Date: 2022-04-12 00:00:00 UTC
Description: Raw data used in the publication "Reductive site-selective atypical C,Z-type / N2–C2 cleavage ...
DOI: 10.5281/zenodo.5736482.svg Location: https://zenodo.org/records/5736482
Article: Reductive site-selective atypical <i>C</i> , <i>Z</i> -type/N2-C2 cleavage allows C-terminal protein amidation
Data objects per year
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Data objects accumulated vs. per year
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Data objects per repository
Repository Data objects
https://www.ccdc.cam.ac.uk 353
https://pubs.acs.org 173
https://www.rsc.org 153
https://static-content.springer.com 92
https://ars.els-cdn.com 64
https://chemistry-europe.onlinelibrary.wiley.com 55
https://onlinelibrary.wiley.com 36
https://data.isis.stfc.ac.uk 33
https://www.rcsb.org 27
https://www.nature.com 22
Summary
Repositories 78
Average: 15.47
Maximum: 353
Minimum: 1
Groups Data objects
1-5 57
6-10 7
11-15 4
more than 20 10
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Data object groups
Group Data objects
Compressed file [zip] 14
Crystal structure [cif/pdbe] 436
Dataset 127
Document [pdf/html/docx/ppt] 589
Media File (image/video) 28
Software [app/api/service/source code] 7
xyz 6
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Recent data objects
Name Description Publised
LaMnO3 catalytic behaviour Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
Catalysts in gasoline particulate filters Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
Reproducing the FeS2 Example from the Demeter Tutorials These files are provided to complement the learning materials for managi... 2024
Pt3Sn nanoparticle electrocatalysts Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
Pd-Al2O3 Catalyst for Ammonia Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
N2O decomposition on LaMnO3 Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
MoOx/Al2O3 Cyclic Operation Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
Ultra-dilute Au colloids Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
Diphosphine ligands in iron Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
Palladium-Catalyzed CO Oxidation Galaxy RO Crate object containing the workflow and data with the reprodu... 2024

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