UK Catalysis Hub Data Objects

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Repository (79)
191 data objects found

Data objects
Name: 1 Electronic Supplementary Information Exploiting Organometallic Chemistry to Functionalize Small Cuprous Oxide Colloidal Nanocrystals Date: 2024-02-01 00:00:00 UTC
Description: Full experimental details and procedures and characterization data (PXRD, FT-IR, TGA, 19F NMR, X...
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/jacs.3c10892/suppl_file/ja3c10892_si_001.pdf
Article: Exploiting Organometallic Chemistry to Functionalize Small Cuprous Oxide Colloidal Nanocrystals
Name: 1 Supporting Information: Evaluating Heterodinuclear Mg(II)M(II) (M = Mn, Fe, Ni, Cu and Zn) Catalysts for the Chemical Recycling of Poly(Cyclohexene Carbonate) Date: 2023-11-23 00:00:00 UTC
Description: Experimental methods, characterization, and polymer/monomer purity evaluation data (PDF)
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/acscatal.3c04208/suppl_file/cs3c04208_si_001.pdf
Article: Evaluating Heterodinuclear Mg(II)M(II) (M = Mn, Fe, Ni, Cu, and Zn) Catalysts for the Chemical Recycling of Poly(cyclohexene carbonate)
Name: 2190-4286-10-191-S1.pdf Date: 2019-09-25 00:00:00 UTC
Description: Supplementary data for The influence of porosity on nanoparticle formation in hierarchical alumi...
DOI: Location: https://www.beilstein-journals.org/bjnano/content/supplementary/2190-4286-10-191-S1.pdf
Article: The influence of porosity on nanoparticle formation in hierarchical aluminophosphates
Name: 41467_2021_26508_MOESM4_ESM.pdf Date: 2021-11-08 00:00:00 UTC
Description: Related Article: Yang, Zongfan, Twidale, Rebecca M., Gervasoni, Silvia, Suardíaz, Reynier, Colen...
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/acs.jcim.1c01109/suppl_file/ci1c01109_si_001.pdf
Article: Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins
Name: A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase Date: 2021-05-14 00:00:00 UTC
Description: A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl React...
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/jacsau.1c00145/suppl_file/au1c00145_si_001.pdf
Article: A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase
Name: Biomass HDO Catalysts Innovation from Atomistic Activity Predictors – data Date: 2020-04-01 00:00:00 UTC
Description: This dataset was produced un course of a density functional theory (DFT) study exploring the rel...
DOI: 10.17035/d.2020.0104938086 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/104938086?auxfun=&lang=en_GB
Article: Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors
Name: CIF Data Date: 2016-03-16 00:00:00 UTC
Description: Additional synthetic/characterizing data, copies of NMR spectra for new compounds, and complete ...
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/jacs.6b00710/suppl_file/ja6b00710_si_002.cif
Article: Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E–H Bonds by a Bis(boryl)stannylene
Name: Combination of Cu/ZnO methanol synthesis catalysts and ZSM-5 zeolites to produce oxygenates from CO2 and H2 - data Date: 2021-05-16 00:00:00 UTC
Description: Cu/ZnO methanol catalysts were deposited over several ZSM-5 acid zeolites (Si/Al = 30, 50 and 80...
DOI: 10.17035/d.2021.0129557921 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/129557921?auxfun=&lang=en_GB
Article: Combination of Cu/ZnO Methanol Synthesis Catalysts and ZSM-5 Zeolites to Produce Oxygenates from CO2 and H2
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: Designing Materials for Aqueous Catalysis: Ionic Liquid Gel and Silica Sphere Entrapped Iron-TAML Catalysts for Oxidative Degradation of Dyes Date: 2021-10-25 00:00:00 UTC
Description: Supplementary data for Designing Materials for Aqueous Catalysis: Ionic Liquid Gel and Silica Sp...
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/acs.est.0c04279/suppl_file/es0c04279_si_001.pdf
Article: Designing Materials for Aqueous Catalysis: Ionic Liquid Gel and Silica Sphere Entrapped Iron-TAML Catalysts for Oxidative Degradation of Dyes
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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