UK Catalysis Hub Data Objects

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Data object type (4)
Repository (79)
40 data objects found

Data objects
Name: INS study of multifunctional zeolites for catalytic conversion of methanol to propene Date: 2023-03-19 00:00:00 UTC
Description: Efficient synthesis of light olefins from renewable resources remains a major challenge. We requ...
DOI: 10.5286/isis.e.rb2010255-1 Location: https://data.isis.stfc.ac.uk/doi/INVESTIGATION/109983314/
Article: Control of zeolite microenvironment for propene synthesis from methanol
Name: Enlighten2 Python package Date: 2020-10-15 00:00:00 UTC
Description: The source code for the Enlighten2 Python package and the Dockerfile used to create the Docker i...
DOI: Location: https://github.com/vanderkamp/enlighten2
Article: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible
Name: Enlighten2 source code Date: 2020-10-15 00:00:00 UTC
Description: The code for the plugin is available as a separate GitHub repository
DOI: Location: https://github.com/vanderkamp/enlighten2-pymol
Article: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible
Name: INS Studies of Olefin Reactivity in HZSM-5 Zeolite Catalysts Date: 2022-03-24 00:00:00 UTC
Description: This proposal looks at the reactivity of propene in a commercial ZSM-5 zeolite catalyst. It buil...
DOI: 10.5286/isis.e.101133845 Location: https://data.isis.stfc.ac.uk/doi/study/101225098
Article: Studies of propene conversion over H-ZSM-5 demonstrate the importance of propene as an intermediate in methanol-to-hydrocarbons chemistry
Name: UK Catalysis Hub App (UKCHApp) Source Code Date: 2021-12-15 00:00:00 UTC
Description: Source code for Designing a data infrastructure for catalysis science aligned to FAIRdata principles
DOI: Location: https://github.com/UK-Catalysis-Hub/ukcathubapp
Article: Designing a data infrastructure for catalysis science aligned to FAIR data principles
Name: XAS Workflow Demo: Source Code Date: 2022-02-02 00:00:00 UTC
Description: Source Code for A Workflow Demonstrator for Processing Catalysis Research Data
DOI: Location: https://github.com/UK-Catalysis-Hub/XAS-Workflow-Demo
Article: A Workflow Demonstrator for Processing Catalysis Research Data
Name: INS study of the first carbon-carbon bond formation stage in the methanol-to-hydrocarbons reaction. Date: 2021-10-21 00:00:00 UTC
Description: Methanol-to-Hydrocarbons is an industrially relevant reaction. The generally accepted mechanism ...
DOI: 10.5286/isis.e.97999822 Location: https://data.isis.stfc.ac.uk/doi/INVESTIGATION/97999822/
Article: An assessment of hydrocarbon species in the methanol-to-hydrocarbon reaction over a ZSM-5 catalyst
Article: The Effect of Co-feeding Methyl Acetate on the H-ZSM5 Catalysed Methanol-to-Hydrocarbons Reaction
Name: Application of INS in order to identify the hydrocarbons retained within the ZSM-5 catalyst during the Methanol to Hydrocarbons reaction Date: 2021-07-02 00:00:00 UTC
Description: The Methanol-to-Hydrocarbons reaction uses methanol as feedstock, and turns it into more industr...
DOI: 10.5286/isis.e.rb1810859 Location: https://data.isis.stfc.ac.uk/doi/STUDY/103198040/
Name: Investigation of the ligand interaction in thiol-capped Au and Pd nanoparticle catalysts Date: 2016-10-09 00:00:00 UTC
Description: Organic stabilisers, such as thiols, thioethers, amines and polymers (i.e. polyvinylalcohol) hav...
DOI: 10.5286/isis.e.24091117 Location: https://data.isis.stfc.ac.uk/doi/INVESTIGATION/24091117/
Article: The adsorbed state of a thiol on palladium nanoparticles
Name: Investigating the diffusion component of the phenyacetylene hydrogenation reaction in Pd/TiO2 Date: 2020-03-20 00:00:00 UTC
Description: Liquid phase heterogeneous catalysis makes up one the largest proportions of chemical industry. ...
DOI: 10.5286/isis.e.84781304 Location: https://data.isis.stfc.ac.uk/doi/INVESTIGATION/84781304/
Article: Ammonia mobility in chabazite: insight into the diffusion component of the NH3-SCR process
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: 15.15
Maximum: 353
Minimum: 1
Groups Data objects
1-5 59
6-10 7
11-15 3
more than 20 10
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Data object groups
Group Data objects
Compressed file [zip] 14
Crystal structure [cif/pdbe] 436
Dataset 117
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
Peer Review Information for Methanol-to-Olefins Studied by UV Raman Spectroscopy as Compared to Visible Wavelength Capitalisation on Resonance Enhancement Transparent Peer Review report available (PDF)... 2024
Supplementary information for Methanol-to-Olefins Studied by UV Raman Spectroscopy as Compared to Visible WavelengthCapitalisation on Resonance Enhancement Additional information regarding absorbance bands assigned in literature... 2024
Supporting Information Active and highly durable supported catalysts for proton exchange membrane electrolysers Electronic Supl. Material (ESI) for EES Catalysis.... 2024
Supplementary Information Non-PGM Hollow Fibre-Based After-treatment for Emission Control under Real Diesel Engine Exhaust Gas Conditions Appendix A. Supl. data Word document (4MB) Multimedia component 1. ... 2024
Supporting Information Precious Metal Free Hydrogen Evolution Catalyst Design and Application Catalyst names, activity metrics, mass loadings, and other data, associa... 2024
Supporting Information: Controlled Carbon Dioxide Terpolymerizations to Deliver Toughened Yet Recyclable Thermoplastics Experimental and instrument details, polymer synthesis, characterization... 2024
Electronic Supporting Information (ESI) Structural Selectivity of Supported Pd Nanoparticles: Selective Ethanol Ammoxidation to Acetonitrile Electronic Supl. Material (ESI) for EES Catalysis.... 2024
calculation of Keq Spreadsheet detailing the calculation of Keq (XLSX)... 2024
Supporting Information Quantifying CO2 Insertion Equilibria For Low Pressure Propene Oxide and Carbon Dioxide Ring Opening Copolymerization Catalysts Characterization data of catalysts (1D and 2D NMR spectra, infrared spec... 2024
Athavan_AppliedPhysicsLetters2024 Copies of coordinate files (in xyz format) for the calculated structure Copies of coordinate files (in xyz format) for the calculated structure... 2024

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