UK Catalysis Hub Data Objects

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Repository (79)
173 data objects found

Data objects
Name: ao9b03351_si_001.pdf Date: 2020-02-07 00:00:00 UTC
Description: Supplementary data for The Methyl Torsion in Unsaturated Compounds
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/acsomega.9b03351/suppl_file/ao9b03351_si_001.pdf?cookieSet=1
Article: The Methyl Torsion in Unsaturated Compounds
Name: ao9b03503_si_001.pdf Date: 2020-03-30 00:00:00 UTC
Description: Supplementary data for Onset of Propene Oligomerization Reactivity in ZSM-5 Studied by Inelastic...
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/acsomega.9b03503/suppl_file/ao9b03503_si_001.pdf?cookieSet=1
Article: Onset of Propene Oligomerization Reactivity in ZSM-5 Studied by Inelastic Neutron Scattering Spectroscopy
Name: bi8b00169_si_001.pdf Date: 2018-03-13 00:00:00 UTC
Description: Supplementary data for Biocatalytic Routes to Lactone Monomers for Polymer Production
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/acs.biochem.8b00169/suppl_file/bi8b00169_si_001.pdf?cookieSet=1
Article: Biocatalytic Routes to Lactone Monomers for Polymer Production
Name: bi8b00169_si_002.pdf Date: 2018-03-13 00:00:00 UTC
Description: Supplementary data for Biocatalytic Routes to Lactone Monomers for Polymer Production
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/acs.biochem.8b00169/suppl_file/bi8b00169_si_002.pdf?cookieSet=1
Article: Biocatalytic Routes to Lactone Monomers for Polymer Production
Name: calculation of Keq Date: 2024-04-08 00:00:00 UTC
Description: Spreadsheet detailing the calculation of Keq (XLSX)
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/jacs.3c13959/suppl_file/ja3c13959_si_002.xlsx
Article: Quantifying CO<sub>2</sub> Insertion Equilibria for Low-Pressure Propene Oxide and Carbon Dioxide Ring Opening Copolymerization Catalysts
Name: ci8b00940_si_001.pdf Date: 2019-02-22 00:00:00 UTC
Description: Supplementary data for Projector-Based Embedding Eliminates Density Functional Dependence for QM...
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/acs.jcim.8b00940/suppl_file/ci8b00940_si_001.pdf?cookieSet=1
Article: Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution
Name: cm503433q_si_001.pdf Date: 2015-02-25 00:00:00 UTC
Description: Supplementary data for Highly Tunable Catalyst Supports for Single-Site Ethylene Polymerization
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/cm503433q/suppl_file/cm503433q_si_001.pdf?cookieSet=1
Article: Highly Tunable Catalyst Supports for Single-Site Ethylene Polymerization
Name: cm5b00866_si_001.pdf Date: 2015-05-08 00:00:00 UTC
Description: Supplementary data for Restructuring of AuPd Nanoparticles Studied by a Combined XAFS/DRIFTS App...
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/acs.chemmater.5b00866/suppl_file/cm5b00866_si_001.pdf?cookieSet=1
Article: Restructuring of AuPd Nanoparticles Studied by a Combined XAFS/DRIFTS Approach
Name: cm7b02552_si_001.pdf Date: 2017-08-15 00:00:00 UTC
Description: Supplementary data for Combined In Situ XAFS/DRIFTS Studies of the Evolution of Nanoparticle Str...
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/acs.chemmater.7b02552/suppl_file/cm7b02552_si_001.pdf?cookieSet=1
Article: Combined In Situ XAFS/DRIFTS Studies of the Evolution of Nanoparticle Structures from Molecular Precursors
Name: cs0c00414_si_001.pdf Date: 2020-04-10 00:00:00 UTC
Description: Supplementary data for Dual-Site-Mediated Hydrogenation Catalysis on Pd/NiO: Selective Biomass T...
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/acscatal.0c00414/suppl_file/cs0c00414_si_001.pdf?cookieSet=1
Article: Dual-Site-Mediated Hydrogenation Catalysis on Pd/NiO: Selective Biomass Transformation and Maintenance of Catalytic Activity at Low Pd Loading
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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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