UK Catalysis Hub Data Objects

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Repository (78)
73 data objects found

Data objects
Name: Athavan_AppliedPhysicsLetters2024 Copies of coordinate files (in xyz format) for the calculated structure Date: 2024-04-01 00:00:00 UTC
Description: Copies of coordinate files (in xyz format) for the calculated structure
DOI: 10.5523/bris.mz85vyusop082j481j2ddl1rf Location: https://data.bris.ac.uk/data/dataset/mz85vyusop082j481j2ddl1rf
Article: A re-examination of claims of aminoferrocene–graphene-based molecular magnets
Name: A Multiscale Workflow for Modelling Ligand Complexes of Zinc Metalloproteins Date: 2021-11-03 00:00:00 UTC
Description: Representative MD trajectories, topologies and input files for the protein:ligand complexes pres...
DOI: 10.5523/bris.10p78zgsappbz226bzrdagabq9 Location: https://data.bris.ac.uk/data/dataset/10p78zgsappbz226bzrdagabq9
Article: Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins
Name: ChemCatChem Supporting Information Room Temperature Hydrogenation of CO2 Utilizing a Cooperative Phosphorus Pyridone-Based Iridium Complex Date: 2024-01-31 00:00:00 UTC
Description: Supporting Information
DOI: Location: https://chemistry-europe.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fcctc.202301627&file=cctc202301627-sup-0001-misc_information.pdf
Article: Room Temperature Hydrogenation of CO<sub>2</sub> Utilizing a Cooperative Phosphorus Pyridone‐Based Iridium Complex
Name: ChemCatChem Supporting Information Towards the Operational Window for Nitridic and Carbidic Palladium Nanoparticles for Directed Catalysis Date: 2023-09-07 00:00:00 UTC
Description: Supporting Information
DOI: Location: https://chemistry-europe.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fcctc.202300870&file=cctc202300870-sup-0001-misc_information.pdf
Article: Towards the Operational Window for Nitridic and Carbidic Palladium Nanoparticles for Directed Catalysis
Name: ChemPlusChem Supporting Information Impact of Porous Silica Nanosphere Architectures on the Catalytic Performance of Supported Sulphonic Acid Sites for Fructose Dehydration to 5-Hydroxymethylfurfural Date: 2023-10-05 00:00:00 UTC
Description: Supporting Information
DOI: Location: https://chemistry-europe.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fcplu.202300413&file=cplu202300413-sup-0001-misc_information.pdf
Article: Impact of Porous Silica Nanosphere Architectures on the Catalytic Performance of Supported Sulphonic Acid Sites for Fructose Dehydration to 5‐Hydroxymethylfurfural
Name: ChemSusChem Supporting Information A Comparison of the Reactivity of the Lattice Nitrogen in Tungsten Substituted Co3Mo3N and Ni2Mo3N Date: 2023-09-13 00:00:00 UTC
Description: Supporting Information
DOI: Location: https://chemistry-europe.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fcssc.202300945&file=cssc202300945-sup-0001-misc_information.pdf
Article: A Comparison of the Reactivity of the Lattice Nitrogen in Tungsten Substituted Co<sub>3</sub>Mo<sub>3</sub>N and Ni<sub>2</sub>Mo<sub>3</sub>N
Name: Cover Profile: Design of Highly Selective Platinum Nanoparticle Catalysts for the Aerobic Oxidation of KA-Oil using Continuous-Flow Chemistry Date: 2016-03-02 00:00:00 UTC
Description: Invited for this month′s cover is the group of Dr. Robert Raja at the University of Southampton,...
DOI: 10.1002/cssc.201600246 Location: https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cssc.201600246
Article: Design of Highly Selective Platinum Nanoparticle Catalysts for the Aerobic Oxidation of KA-Oil using Continuous-Flow Chemistry
Name: Electrocatalytic Site Activity Enhancement via Orbital Overlap in A2MnRuO7 (A = Dy3+, Ho3+, Er3+) Pyrochlore Nanostructures Date: 2021-01-07 00:00:00 UTC
Description: This data folder corresponds to the study of the electrochemical behavior of A2MnRuO7 (A = Dy, H...
DOI: Location: https://data.bris.ac.uk/datasets/2ziu8eflfw7zv25mc8j4h80jfl/2ziu8eflfw7zv25mc8j4h80jfl.zip
Article: Electrocatalytic Site Activity Enhancement via Orbital Overlap in A2MnRuO7 (A = Dy3+, Ho3+, and Er3+) Pyrochlore Nanostructures
Name: Evolution of dynamical networks enhances catalysis in a designer enzyme Date: 2021-06-23 00:00:00 UTC
Description: Data related to: "Evolution of dynamical networks enhances catalysis in a designer enzyme". H. A...
DOI: 10.5523/bris.l6hm9j11yil92bh9rvh27i7ge Location: https://data.bris.ac.uk/data/dataset/l6hm9j11yil92bh9rvh27i7ge
Article: Evolution of dynamical networks enhances catalysis in a designer enzyme
Name: Glycerol carboxylation over biochar - Data.xlsx Date: 2020-08-17 00:00:00 UTC
Description: Related Article: Collett, Catherine, Mašek, Ondřej, Razali, Nurul, McGregor, James(2020) Influen...
DOI: Location: https://drive.google.com/file/d/1PFCb2zhIgaVr8MUmXf2B-qibfDHXE58N/view?usp=sharing
Article: Influence of Biochar Composition and Source Material on Catalytic Performance: The Carboxylation of Glycerol with CO2 as a Case Study
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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