UK Catalysis Hub Data Objects

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Repository (79)
1197 data objects found

Data objects
Name: CCDC 2217133: Experimental Crystal Structure Determination Date: 2022-01-01 00:00:00 UTC
Description: Amy E. Kynman, Luca K. Elghanayan, Addison N. Desnoyer, Yan Yang, Laurent Sévery, Andrea Di Gius...
DOI: 10.5517/ccdc.csd.cc2df3fd Location: https://dx.doi.org/10.5517/ccdc.csd.cc2df3fd
Article: Controlled monodefluorination and alkylation of C(sp<sup>3</sup>)–F bonds by lanthanide photocatalysts: importance of metal–ligand cooperativity
Name: Studying the strength of acid sites in an industrial ZSM-5 catalyst: MAPS Date: 2022-01-01 00:00:00 UTC
Description: Abstract: As part of an on-going programme of work to better understand critical factors in the ...
DOI: 10.5286/isis.e.rb1910561 Location: https://data.isis.stfc.ac.uk/doi/STUDY/103212687/
Article: Counting the Acid Sites in a Commercial ZSM-5 Zeolite Catalyst
Name: Neutron diffraction of activated zeolite Date: 2022-01-01 00:00:00 UTC
Description: Data collected on the POLARIS instrument at the ISIS facility
DOI: 10.5286/isis.e.rb1990175-1 Location: https://topcat.isis.stfc.ac.uk/doi/INVESTIGATION/105573194/
Article: Counting the Acid Sites in a Commercial ZSM-5 Zeolite Catalyst
Name: QM/MM study of the stability of dimethyl ether in zeolites H-ZSM-5 and H-Y: data Date: 2020-01-01 00:00:00 UTC
Description: The dataset presented is associated with a computational investigation of how a crucial intermed...
DOI: 10.17035/d.2020.0122278013 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/122278013
Article: QM/MM study of the stability of dimethyl ether in zeolites H-ZSM-5 and H-Y
Name: CCDC 2207317: Experimental Crystal Structure Determination Date: 2023-01-01 00:00:00 UTC
Description: Wilfred T. Diment, Gloria Rosetto, Noura Ezaz-Nikpay, Ryan W. F. Kerr, Charlotte K. Williams CCD...
DOI: 10.5517/ccdc.csd.cc2d2ws5 Location: https://dx.doi.org/10.5517/ccdc.csd.cc2d2ws5
Article: A highly active, thermally robust iron(<scp>iii</scp>)/potassium(<scp>i</scp>) heterodinuclear catalyst for bio-derived epoxide/anhydride ring-opening copolymerizations
Name: CCDC 2207318: Experimental Crystal Structure Determination Date: 2023-01-01 00:00:00 UTC
Description: Wilfred T. Diment, Gloria Rosetto, Noura Ezaz-Nikpay, Ryan W. F. Kerr, Charlotte K. Williams CCD...
DOI: 10.5517/ccdc.csd.cc2d2wt6 Location: https://dx.doi.org/10.5517/ccdc.csd.cc2d2wt6
Article: A highly active, thermally robust iron(<scp>iii</scp>)/potassium(<scp>i</scp>) heterodinuclear catalyst for bio-derived epoxide/anhydride ring-opening copolymerizations
Name: am2c06982_si_001.pdf Date: 2022-08-09 00:00:00 UTC
Description: Supporting Information Unlocking Molecular Secret in Monomer-Assembly-Promoted Zn-Metalated Cata...
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/acsami.2c06982/suppl_file/am2c06982_si_001.pdf
Article: Unlocking Molecular Secrets in a Monomer-Assembly-Promoted Zn-Metalated Catalytic Porous Organic Polymer for Light-Responsive CO<sub>2</sub> Insertion
Name: Data for "Mechanistic insight into the framework methylation of H-ZSM-5 for varying methanol loading and Si/Al ratio using first principles molecular dynamics simulations" Date: 2020-01-01 00:00:00 UTC
Description: Data is presented for: a) The interaction distances between specific atoms of interest (defined...
DOI: 10.17035/d.2020.0111777454 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/111777454
Article: Mechanistic Insight into the Framework Methylation of H-ZSM-5 for Varying Methanol Loadings and Si/Al Ratios Using First-Principles Molecular Dynamics Simulations
Name: CCDC 2054313: Experimental Crystal Structure Determination Date: 2021-01-06 00:00:00 UTC
Description: Yujie Ma, Xue Han, Shaojun Xu, Zi Wang, Weiyao Li, Ivan da Silva, Sarayute Chansai, Daniel Lee, ...
DOI: 10.5517/ccdc.csd.cc26yp51 Location: https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=2054313
Article: Atomically Dispersed Copper Sites in a Metal–Organic Framework for Reduction of Nitrogen Dioxide
Name: CCDC 2054314: Experimental Crystal Structure Determination Date: 2021-01-06 00:00:00 UTC
Description: Yujie Ma, Xue Han, Shaojun Xu, Zi Wang, Weiyao Li, Ivan da Silva, Sarayute Chansai, Daniel Lee, ...
DOI: 10.5517/ccdc.csd.cc26yp62 Location: https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=2054314
Article: Atomically Dispersed Copper Sites in a Metal–Organic Framework for Reduction of Nitrogen Dioxide
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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