UK Catalysis Hub Data Objects

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Repository (78)
1207 data objects found

Data objects
Name: Mechanism of the Catalytic Carboxylation of Alkylboronates with CO2 using Ni-NHC complexes: A DFT Study (dataset) Date: 2017-01-01 00:00:00 UTC
Description: Computational data and metadata underpinning publication in scientific journal
DOI: 10.17630/383e38ec-a571-49ca-8a54-9ebf020e4513 Location: https://risweb.st-andrews.ac.uk:443/portal/en/datasets/mechanism-of-the-catalytic-carboxylation-of-alkylboronates-with-co2-using-ninhc-complexes-a-dft-study-dataset(383e38ec-a571-49ca-8a54-9ebf020e4513).html
Article: Mechanism of the Catalytic Carboxylation of Alkylboronates with CO2 Using Ni−NHC Complexes: A DFT Study
Name: Materials Data on YAlO3 by Materials Project Date: 2020-07-16 00:00:00 UTC
Description: YAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space grou...
DOI: 10.17188/1207439 Location: https://materialsproject.org/materials/mp-3792/
Article: PrFeO 3 Photocathodes Prepared Through Spray Pyrolysis
Name: Malta.SM.pdf Date: 2017-03-30 00:00:00 UTC
Description: Supplementary data for Identification of single-site gold catalysis in acetylene hydrochlorination
DOI: Location: https://science.sciencemag.org/content/sci/suppl/2017/03/29/355.6332.1399.DC1/Malta.SM.pdf
Article: Identification of single-site gold catalysis in acetylene hydrochlorination
Name: LanCLs have C-glutathionylation activity with potential to trap the eliminylome Date: 2020-01-01 00:00:00 UTC
Description: Enzyme-mediated damage repair or containment, whilst common for nucleic acids, is rare for prote...
DOI: 10.5287/bodleian:qrn18xodg Location: https://ora.ox.ac.uk/objects/uuid:d8729aad-ca98-4f06-b14a-0a75ea306584
Article: LanCLs add glutathione to dehydroamino acids generated at phosphorylated sites in the proteome
Name: LanCL Date: 2021-05-12 00:00:00 UTC
Description: Mass spectrometry and Western blot data supporting the function of LanCL proteins published in C...
DOI: 10.17632/sgjzwcxgsr.1 Location: https://data.mendeley.com/datasets/sgjzwcxgsr/1
Article: LanCLs add glutathione to dehydroamino acids generated at phosphorylated sites in the proteome
Name: LaMnO3 catalytic behaviour Date: 2024-10-30 00:00:00 UTC
Description: Galaxy RO Crate object containing the workflow and data with the reproduction of the results pub...
DOI: 10.5281/zenodo.14013574 Location: https://zenodo.org/records/14013574
Article: Facilitating Reproducibility in Catalysis Research with Managed Workflows and RO‐Crates: A Galaxy Case Study
Name: Kinetics of Benzene Hydrogenation Revisited in the Presence of Excess Liquid Date: 2020-05-27 00:00:00 UTC
Description: Heterogeneous catalysis, where the reagents are either contained in a liquid medium, or are liqu...
DOI: 10.5286/isis.e.86388731 Location: https://data.isis.stfc.ac.uk/doi/INVESTIGATION/86388731/
Article: Determination of toluene hydrogenation kinetics with neutron diffraction
Name: Kinetics of Benzene Hydrogenation Revisited in the Presence of Excess Liquid Date: 2020-09-26 00:00:00 UTC
Description: Heterogeneous catalysis, where the reagents are either contained in a liquid medium, or are liqu...
DOI: 10.5286/isis.e.87813090 Location: https://data.isis.stfc.ac.uk/doi/INVESTIGATION/87813090/
Article: Determination of toluene hydrogenation kinetics with neutron diffraction
Name: Isolated PdO sites on SiO2-supported NiO nanoparticles as active sites for allylic alcohol selective oxidation Date: 2023-06-07 00:00:00 UTC
Description: Raw data sets that under pin the publication Isolated PdO sites on SiO2-supported NiO nanoparti...
DOI: 10.48420/c.6647102.v1 Location: https://figshare.manchester.ac.uk/collections/Isolated_PdO_sites_on_SiO2-supported_NiO_nanoparticles_as_active_sites_for_allylic_alcohol_selective_oxidation/6647102
Article: Isolated PdO sites on SiO<sub>2</sub>-supported NiO nanoparticles as active sites for allylic alcohol selective oxidation
Name: Iron Negishi mechanistic NatCat 2018 Date: 2018-12-31 00:00:00 UTC
Description: Data supporting Nature Catalysis paper
DOI: 10.5523/bris.1kp2f62x3klb02mfz2qymcmxmx Location: https://data.bris.ac.uk/data/dataset/1kp2f62x3klb02mfz2qymcmxmx/
Article: The highly surprising behaviour of diphosphine ligands in iron-catalysed Negishi cross-coupling
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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