UK Catalysis Hub Data Objects

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39 data objects found

Data objects
Name: 41598_2023_43523_MOESM1_ESM.pdf Date: 2023-10-04 00:00:00 UTC
Description: Free energy along drug-protein binding pathways interactively sampled in virtual reality Support...
DOI: Location: https://static-content.springer.com/esm/art%3A10.1038%2Fs41598-023-43523-x/MediaObjects/41598_2023_43523_MOESM1_ESM.pdf
Article: Free energy along drug-protein binding pathways interactively sampled in virtual reality
Name: 41929_2022_821_MOESM1_ESM.pdf Date: 2022-08-11 00:00:00 UTC
Description: Supplementary Methods, Figs. 1–23, Tables 1–4 and references.
DOI: Location: https://static-content.springer.com/esm/art%3A10.1038%2Fs41929-022-00821-3/MediaObjects/41929_2022_821_MOESM1_ESM.pdf
Article: Directed evolution of an efficient and thermostable PET depolymerase
Name: 41929_2022_821_MOESM2_ESM.pdf Date: 2022-08-11 00:00:00 UTC
Description: Reporting Summary
DOI: Location: https://static-content.springer.com/esm/art%3A10.1038%2Fs41929-022-00821-3/MediaObjects/41929_2022_821_MOESM2_ESM.pdf
Article: Directed evolution of an efficient and thermostable PET depolymerase
Name: MediaObjects/41929_2021_710_MOESM1_ESM.pdf Date: 2021-12-02 00:00:00 UTC
Description: Supplementary Methods, Figs. 1–133, Tables 1–9, Discussion and references.
DOI: Location: https://static-content.springer.com/esm/art%3A10.1038%2Fs41929-021-00710-1/MediaObjects/41929_2021_710_MOESM1_ESM.pdf
Article: Identifying palladium culprits in amine catalysis
Name: 41929_2021_710_MOESM2_ESM.pdf Date: 2021-12-02 00:00:00 UTC
Description: Optimised Cartesian coordinates (B3LYP-D3BJ/6–311+G**) for Int4, Int5, Cat and Int4-dp.
DOI: Location: https://static-content.springer.com/esm/art%3A10.1038%2Fs41929-021-00710-1/MediaObjects/41929_2021_710_MOESM2_ESM.pdf
Article: Identifying palladium culprits in amine catalysis
Name: 41570_2023_470_MOESM1_ESM.pdf Date: 2023-02-23 00:00:00 UTC
Description: Supplementary Information Recognising the best catalyst for a reaction
DOI: Location: https://static-content.springer.com/esm/art%3A10.1038%2Fs41570-023-00470-5/MediaObjects/41570_2023_470_MOESM1_ESM.pdf
Article: Recognizing the best catalyst for a reaction
Name: Supplementary Information A Spectroscopic Paradox: The Interaction of Methanol with ZSM-5 at Room Temperature Date: 2021-07-29 00:00:00 UTC
Description: 1 Supplementary Information A Spectroscopic Paradox: The Interaction of Methanol with ZSM-5 at R...
DOI: Location: https://static-content.springer.com/esm/art%3A10.1007%2Fs11244-021-01462-9/MediaObjects/11244_2021_1462_MOESM1_ESM.pdf
Article: A Spectroscopic Paradox: The Interaction of Methanol with ZSM-5 at Room Temperature
Name: Supplementary Figures Date: 2015-05-17 00:00:00 UTC
Description: pdf document
DOI: Location: https://static-content.springer.com/esm/art%3A10.1038%2Fncomms7540/MediaObjects/41467_2015_BFncomms7540_MOESM1214_ESM.pdf
Article: High performing and stable supported nano-alloys for the catalytic hydrogenation of levulinic acid to γ-valerolactone
Name: Supplementary Information: 3D chemical imaging in the laboratory by hyperspectral X-ray computed tomography Date: 2015-10-30 00:00:00 UTC
Description: Electronic supplementary material Supplementary Materials
DOI: Location: https://static-content.springer.com/esm/art%3A10.1038%2Fsrep15979/MediaObjects/41598_2015_BFsrep15979_MOESM1_ESM.pdf
Article: 3D chemical imaging in the laboratory by hyperspectral X-ray computed tomography
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 79
Average: 15.28
Maximum: 353
Minimum: 1
Groups Data objects
1-5 58
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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