UK Catalysis Hub Data Objects

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14 data objects found

Data objects
Name: Athavan_AppliedPhysicsLetters2024 Copies of coordinate files (in xyz format) for the calculated structure Date: 2024-04-01 00:00:00 UTC
Description: Copies of coordinate files (in xyz format) for the calculated structure
DOI: 10.5523/bris.mz85vyusop082j481j2ddl1rf Location: https://data.bris.ac.uk/data/dataset/mz85vyusop082j481j2ddl1rf
Article: A re-examination of claims of aminoferrocene–graphene-based molecular magnets
Name: 1-s2.0-S0039602816301509-mmc2.zip Date: 2016-11-01 00:00:00 UTC
Description: Supplementary data for Adsorption of formate species on Cu(h,k,l) low index surfaces
DOI: Location: https://ars.els-cdn.com/content/image/1-s2.0-S0039602816301509-mmc2.zip
Article: Adsorption of formate species on Cu(h,k,l) low index surfaces
Name: 1-s2.0-S0920586120303370-mmc2.zip Date: 2020-05-19 00:00:00 UTC
Description: The Crystallographic Information File (CIF) for the BCFZ structure is can be found in the form o...
DOI: Location: https://ars.els-cdn.com/content/image/1-s2.0-S0920586120303370-mmc2.zip
Article: Real-time tomographic diffraction imaging of catalytic membrane reactors for the oxidative coupling of methane
Name: Supplemental Information 1: Molecular xyz coordinates 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-1 Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-1
Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
Name: Supplementary Materials Date: 2022-04-28 00:00:00 UTC
Description: The following supporting information can be downloaded at: https://www.mdpi.com/article/10.3390/...
DOI: Location: https://www.mdpi.com/article/10.3390/catal12050492/s1
Article: Inorganic Salt Catalysed Hydrothermal Carbonisation (HTC) of Cellulose
Name: Supplementary information: Facile synthesis of porous 3D g-C3N4 photocatalysts for the degradation of organics in shale gas brines Date: 2022-09-01 00:00:00 UTC
Description: Supplementary data to article
DOI: Location: https://ars.els-cdn.com/content/image/1-s2.0-S1566736722000851-mmc1.zip
Article: Facile synthesis of a porous 3D g-C3N4 photocatalyst for the degradation of organics in shale gas brines
Name: XPS and STM studies of the oxidation of hydrogen chloride at Cu(100) surfaces Date: 2019-01-01 00:00:00 UTC
Description: XPS and STM studies of the oxidation of hydrogen chloride at Cu(100) surfaces. Data is organised...
DOI: 10.17035/d.2015.100122 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/1572980
Article: XPS and STM studies of the oxidation of hydrogen chloride at Cu(100) surfaces
Name: c9cp05476f2.zip Date: 2020-02-12 00:00:00 UTC
Description: Supplementary data for A DFT and KMC based study on the mechanism of the water gas shift reactio...
DOI: Location: http://www.rsc.org/suppdata/c9/cp/c9cp05476f/c9cp05476f2.zip
Article: A DFT and KMC based study on the mechanism of the water gas shift reaction on the Pd(100) surface
Name: cs0c00596_si_002.zip Date: 2020-05-04 00:00:00 UTC
Description: Supplementary data for Small Changes in Hydration Determine Cephalosporinase Activity of OXA-48 ...
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/acscatal.0c00596/suppl_file/cs0c00596_si_002.zip?cookieSet=1
Article: Small Changes in Hydration Determine Cephalosporinase Activity of OXA-48 β-Lactamases
Name: d0ob02566f1.zip Date: 2021-02-16 00:00:00 UTC
Description: Related Article: Suardíaz, Reynier, Lythell, Emily, Hinchliffe, Philip, van der Kamp, Marc, Spen...
DOI: Location: https://www.rsc.org/suppdata/d0/ob/d0ob02566f/d0ob02566f1.zip
Article: Catalytic mechanism of the colistin resistance protein MCR-1
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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