UK Catalysis Hub Data Objects

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Repository (79)
72 data objects found

Data objects
Name: How bulk and surface properties of Ti4SiC3, V4SiC3, Nb4SiC3 and Zr4SiC3 tune reactivity: a computational study - data Date: 2021-01-01 00:00:00 UTC
Description: The bulk and surface properties of early transition metal silicon carbides as well as their acti...
DOI: 10.17035/d.2021.0128671491 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/128671491?auxfun=&lang=en_GB
Article: How bulk and surface properties of Ti4SiC3, V4SiC3, Nb4SiC3 and Zr4SiC3 tune reactivity: a computational study
Name: Identification of C2-C5 products from CO2 hydrogenation over PdZn/TiO2-ZSM-5 hybrid catalysts - data Date: 2019-06-01 00:00:00 UTC
Description: A PdZn/TiO2 methanol catalysts was physically mixed with different ZSM-5 zeolites with different...
DOI: 10.17035/d.2021.0129194354 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/129194354?auxfun=&lang=en_GB
Article: Identification of C2–C5 products from CO2 hydrogenation over PdZn/TiO2–ZSM-5 hybrid catalysts
Name: Multifunctional supported bimetallic catalysts for a cascade reaction with hydrogen auto transfer: synthesis of 4-phenylbutan-2-ones from 4-methoxybenzyl alcohols Date: 2017-01-01 00:00:00 UTC
Description: We report the one-pot tandem synthesis of 4-(4-methoxyphenyl)butan-2-one directly from 4-methoxy...
DOI: 10.17035/d.2017.0033515199 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/33515199?auxfun=&lang=en_GB
Article: Multifunctional supported bimetallic catalysts for a cascade reaction with hydrogen auto transfer: synthesis of 4-phenylbutan-2-ones from 4-methoxybenzyl alcohols
Name: Optimising Terpene Synthesis with Flow Biocatalysis Date: 2017-01-01 00:00:00 UTC
Description: Sesquiterpenes are an important family of natural products that often exhibit important pharmace...
DOI: 10.17035/d.2016.0011675544 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/11675544?auxfun=&lang=en_GB
Article: Optimising Terpene Synthesis with Flow Biocatalysis
Name: Pd segregation to the surface of Au on Pd(111) and on PdTiO2(110) Date: 2017-02-01 00:00:00 UTC
Description: The interaction of Au and Pd in bimetallic systems is important in a number of areas of technolo...
DOI: 10.17035/d.2016.0009299603 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/9299603?auxfun=&lang=en_GB
Article: Pd segregation to the surface of Au on Pd(111) and on Pd/TiO 2 (110)
Name: PdZn catalysts for CO2 hydrogenation to methanol using chemical vapour impregnation (CVI) Date: 2017-01-01 00:00:00 UTC
Description: The formation of PdZn bimetallic alloys on ZnO, TiO2 and Al2O3 supports was investigated, togeth...
DOI: 10.17035/d.2016.0011312728 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/11312728?auxfun=&lang=en_GB
Article: PdZn catalysts for CO2 hydrogenation to methanol using chemical vapour impregnation (CVI)
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: SI for: Borylated N‐Heterocyclic Carbenes: Rearrangement and Chemical Trapping Date: 2018-12-11 00:00:00 UTC
Description: Related Article: Kristinsdóttir, Lilja, Vasko, Petra, Niu, Haoyu, Kolychev, Eugene L., Campos, J...
DOI: Location: https://chemistry-europe.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fchem.201804808&file=chem201804808-sup-0001-misc_information.pdf
Article: Borylated N‐Heterocyclic Carbenes: Rearrangement and Chemical Trapping
Name: SI for: H 2 ‐free Synthesis of Aromatic, Cyclic and Linear Oxygenates from CO 2 Date: 2019-12-03 00:00:00 UTC
Description: Related Article: Gomez, Laura Quintana, Shehab, Amal K., Al‐Shathr, Ali, Ingram, William, Konsta...
DOI: Location: https://chemistry-europe.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fcssc.201902340&file=cssc201902340-sup-0001-misc_information.pdf
Article: H2‐free Synthesis of Aromatic, Cyclic and Linear Oxygenates from CO2
Name: SI for: PrFeO 3 Photocathodes Prepared Through Spray Pyrolysis Date: 2020-02-10 00:00:00 UTC
Description: Related Article: Freeman, Emma, Kumar, Santosh, Thomas, Sophie R., Pickering, Hayley, Fermin, Da...
DOI: Location: https://chemistry-europe.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fcelc.201902005&file=celc201902005-sup-0001-misc_information.pdf
Article: PrFeO 3 Photocathodes Prepared Through Spray Pyrolysis
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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