UK Catalysis Hub Data Objects

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Repository (79)
127 data objects found

Data objects
Name: Peer Review File Date: 2020-08-11 00:00:00 UTC
Description: Peer Review File
DOI: Location: https://static-content.springer.com/esm/art%3A10.1038%2Fs41467-020-17852-8/MediaObjects/41467_2020_17852_MOESM2_ESM.pdf
Article: Adsorption and activation of molecular oxygen over atomic copper(I/II) site on ceria
Name: Peer Review File Date: 2021-02-05 00:00:00 UTC
Description: Reviewers Comments and Response
DOI: Location: https://static-content.springer.com/esm/art%3A10.1038%2Fs41467-021-21062-1/MediaObjects/41467_2021_21062_MOESM2_ESM.pdf
Article: Control of zeolite microenvironment for propene synthesis from methanol
Name: Narupa 2 Protocol Date: 2022-04-25 00:00:00 UTC
Description: The programs necessary for running a standalone simulation of trypsin and benzamidine in Narupa ...
DOI: Location: https://gitlab.com/intangiblerealities/narupa-protocol
Article: Free energy along drug-protein binding pathways interactively sampled in virtual reality
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: 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: 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: Investigation of methanol mobility in zeolite H-ZSM-5 pores as a function of acid site density Date: 2023-03-06 00:00:00 UTC
Description: Zeolites are porous aluminosilicate minerals widely used as adsorbents or catalysts in a myriad ...
DOI: 10.5286/isis.e.rb1920441 Location: https://data.isis.stfc.ac.uk/doi/STUDY/108681458/
Article: Methanol diffusion and dynamics in zeolite H-ZSM-5 probed by quasi-elastic neutron scattering and classical molecular dynamics simulations
Name: Investigation of diffusion of branched alkanes in ZSM5 Date: 2016-03-13 00:00:00 UTC
Description: The diffusion coefficients of monobranched and dibranched (methyl)hexane and octane in industria...
DOI: 10.5286/isis.e.24090121 Location: https://data.isis.stfc.ac.uk/doi/INVESTIGATION/24090121/
Article: Octane isomer dynamics in H-ZSM-5 as a function of Si/Al ratio: a quasi-elastic neutron scattering study
Name: Investigating the speciation of hydrocarbonaceous deposits formed during oxidative dehydrogenation of propane Date: 2021-02-14 00:00:00 UTC
Description: Natural gas comprising mainly methane, ethane and propane is widely used as a raw material for d...
DOI: 10.5286/isis.e.86778394 Location: https://data.isis.stfc.ac.uk/doi/STUDY/103200776/
Article: Investigation of MoOx/Al2O3 under Cyclic Operation for Oxidative and Non-Oxidative Dehydrogenation of Propane
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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