UK Catalysis Hub Data Objects

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88 data objects found

Data objects
Name: Table S4: Errors of reaction energies (in kcal mol−1) of reaction 1–20, relative to the CCSD(T)/aug-cc-pVTZ results 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-5 Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-5
Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
Name: Table S5: Mean signed errors, standard deviations, maximum errors and minimum errors along with their reaction number (Rxn No.) of reaction energies (in kcal mol<sup>−1</sup>) of reaction 1–20 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-6 Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-6
Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
Name: Table S6: Absolute errors, mean absolute errors and standard deviations of reaction energies (in kcal mol−1) of reaction 1–20. The absolute errors are given relative to the CCSD(T)/aug-cc-pVTZ results 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-7 Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-7
Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
Name: Tuning of catalytic sites in Pt/TiO2 catalysts for chemoselective hydrogenation of 3-nitrostyrene Date: 2019-09-16 00:00:00 UTC
Description: The dataset contains the raw data of XPS, STEM, XAS, GC and CO DRIFT analysis of the Pt/TiO2 cat...
DOI: 10.17035/d.2019.0079744472 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/79744472?auxfun=&lang=en_GB
Article: Tuning of catalytic sites in Pt/TiO2 catalysts for the chemoselective hydrogenation of 3-nitrostyrene
Name: Unraveling the H2 Promotional Effect on Palladium-Catalyzed CO Oxidation Using a Combination of Temporally and Spatially Resolved Investigations Date: 2018-07-26 00:00:00 UTC
Description: Stewart, C., Gibson, E. , Morgan, K., Cibin, G., Dent, A. J., Hardacre, C., Kondratenko, E. V., ...
DOI: 10.5525/gla.researchdata.654 Location: http://researchdata.gla.ac.uk/id/eprint/654
Article: Unraveling the H2Promotional Effect on Palladium-Catalyzed CO Oxidation Using a Combination of Temporally and Spatially Resolved Investigations
Name: Unraveling the H2 promotional effect on the Palladium catalysed CO oxidation using a combination of temporally and spatially resolved investigations Date: 2018-07-26 00:00:00 UTC
Description: Data underpinning publication in Stewart et al 2018, 'Unraveling the H2 promotional effect on th...
DOI: 10.17034/e97ee975-90e2-41f8-b28a-1ae1438dcb91 Location: https://pure.qub.ac.uk/portal/en/datasets/unraveling-the-h2-promotional-effect-on-the-palladium-catalysed-co-oxidation-using-a-combination-of-temporally-and-spatially-resolved-investigations(e97ee975-90e2-41f8-b28a-1ae1438dcb91).html
Article: Unraveling the H2Promotional Effect on Palladium-Catalyzed CO Oxidation Using a Combination of Temporally and Spatially Resolved Investigations
Name: XAFS data @ Pt and Sn edges for samples in Structure-Activity Relationships in Highly Active Platinum-Tin MFI-type Zeolite Catalysts for Propane Dehydrogenation Date: 2022-01-01 00:00:00 UTC
Description: XAFS data @ Pt and Sn edges for samples in Structure-Activity Relationships in Highly Active Pla...
DOI: 10.5522/04/19063886 Location: https://rdr.ucl.ac.uk/articles/dataset/XAFS_data_Pt_and_Sn_edges_for_samples_in_Structure-Activity_Relationships_in_Highly_Active_Platinum-Tin_MFI-type_Zeolite_Catalysts_for_Propane_Dehydrogenation/19063886
Article: Structure‐Activity Relationships in Highly Active Platinum‐Tin MFI‐type Zeolite Catalysts for Propane Dehydrogenation
Name: supporting-info Date: 2020-10-14 00:00:00 UTC
Description: supporting-info
DOI: Location: https://github.com/AlexanderHoffman/supporting-info
Article: Insight into the effects of confined hydrocarbon species on the lifetime of methanol conversion catalysts
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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