UK Catalysis Hub Data Objects

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96 data objects found

Data objects
Name: Table S1: Coordinates of 29 molecules optimized at the B3LYP/6-311+G(d) level Date: 2020-05-20 00:00:00 UTC
Description: Related Article: Sirirak, Jitnapa, Lawan, Narin, Van der Kamp, Marc W., Harvey, Jeremy N., Mulho...
DOI: 10.7717/peerj-pchem.8/supp-2 Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-2
Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
Name: Table S1. Unbiased protein pull-down and proteomics analysis, related to Figure 1E. Date: 2021-04-30 00:00:00 UTC
Description: Table S1. Unbiased protein pull-down and proteomics analysis, related to Figure 1E.
DOI: Location: https://ars.els-cdn.com/content/image/1-s2.0-S0092867421004360-mmc1.xlsx
Article: LanCLs add glutathione to dehydroamino acids generated at phosphorylated sites in the proteome
Name: TEM images for Pd-Ru/TiO2 catalysts Date: 2016-01-01 00:00:00 UTC
Description: The selective hydrogenation of furfural at ambient temperature has been investigated using a Pd/...
DOI: 10.17035/d.2015.100119 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/1573470?auxfun=&lang=en_GB
Article: Pd–Ru/TiO2 catalyst – an active and selective catalyst for furfural hydrogenation
Name: Supporting Information Computational Investigation of The Structures and Energies of Microporous Materials Date: 2022-11-28 00:00:00 UTC
Description: Appendix A. Supplementary data The following is the Supplementary data to this article: Word do...
DOI: Location: https://ars.els-cdn.com/content/image/1-s2.0-S1387181122007004-mmc1.docx
Article: Computational investigation of the structures and energies of microporous materials
Name: Supporting Information Integrated carbon capture and utilization: synergistic catalysis between highly dispersed Ni clusters and ceria oxygen vacancies Date: 2022-03-23 00:00:00 UTC
Description: Appendix A. Supplementary data The following are the Supplementary data to this article Word doc...
DOI: Location: https://ars.els-cdn.com/content/image/1-s2.0-S138589472200897X-mmc1.docx
Article: Integrated carbon capture and utilization: Synergistic catalysis between highly dispersed Ni clusters and ceria oxygen vacancies
Name: Supported Metal Nanoparticles with Tailored Catalytic Properties through Sol immobilisation: Applications for the Hydrogenation of Nitrophenols Date: 2018-01-01 00:00:00 UTC
Description: Colloidal Pd nanoparticles, prepared at different temperatures and supported on TiO2 support via...
DOI: 10.17035/d.2018.0049146792 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/49146792?auxfun=〈=en_GB
Article: Supported metal nanoparticles with tailored catalytic properties through sol-immobilisation: applications for the hydrogenation of nitrophenols
Name: Support Information Unravelling the role of metallic and basic sites in coprecipitated Ni catalysts promoted with rare -earth elements for CO2 methanation Date: 2020-06-20 00:00:00 UTC
Description: Appendix A. Supplementary data
DOI: Location: https://ars.els-cdn.com/content/image/1-s2.0-S0926337320306718-mmc1.pdf
Article: Understanding structure-activity relationships in highly active La promoted Ni catalysts for CO2 methanation
Name: Supplementary material from Cation-doping strategies for tuning of zirconia acid base properties Date: 2022-01-01 00:00:00 UTC
Description: Cation-doping strategies for tuning of zirconia acid–base properties
DOI: 10.6084/m9.figshare.19164657 Location: https://rs.figshare.com/articles/journal_contribution/Supplementary_material_from_Cation-doping_strategies_for_tuning_of_zirconia_acid_base_properties/19164657
Article: Cation-doping strategies for tuning of zirconia acid–base properties
Name: Supplementary material from "Methanol photo-reforming with water on pure titania for hydrogen production" Date: 2020-01-01 00:00:00 UTC
Description: The behaviour of titania for the photo-reforming of methanol with water at ambient temperature h...
DOI: 10.6084/m9.figshare.c.4994573 Location: https://rs.figshare.com/collections/Supplementary_material_from_Methanol_photo-reforming_with_water_on_pure_titania_for_hydrogen_production_/4994573
Article: Methanol photo-reforming with water on pure titania for hydrogen production
Name: Supplementary material from "Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors" Date: 2020-07-06 00:00:00 UTC
Description: Circular economy emphasizes the idea of transforming products involving economic growth and impr...
DOI: 10.6084/m9.figshare.c.5007785.v1 Location: https://rs.figshare.com/collections/Supplementary_material_from_Biomass_hydrodeoxygenation_catalysts_innovation_from_atomistic_activity_predictors_/5007785
Article: Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors
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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