UK Catalysis Hub Data Objects

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Repository (79)
18 data objects found

Data objects
Name: fringeremoval.xls Date: 2016-02-01 00:00:00 UTC
Description: Supplementary data for Towards microfluidic reactors for in situ synchrotron infrared studies
DOI: Location: https://aip.scitation.org/doi/suppl/10.1063/1.4941825/suppl_file/fringeremoval.xls
Article: Towards microfluidic reactors for in situ synchrotron infrared studies
Name: Supplementary material from "Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors" Date: 2020-07-06 00:00:00 UTC
Description: Circular economy emphasizes the idea of transforming products involving economic growth and impr...
DOI: 10.6084/m9.figshare.c.5007785.v1 Location: https://rs.figshare.com/collections/Supplementary_material_from_Biomass_hydrodeoxygenation_catalysts_innovation_from_atomistic_activity_predictors_/5007785
Article: Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors
Name: Numerical data and further representations on descriptors correlation from Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors Date: 2020-01-01 00:00:00 UTC
Description: Circular economy emphasizes the idea of transforming products involving economic growth and impr...
DOI: 10.6084/m9.figshare.12429290 Location: https://rs.figshare.com/articles/Numerical_data_and_further_representations_on_descriptors_correlation_from_Biomass_hydrodeoxygenation_catalysts_innovation_from_atomistic_activity_predictors/12429290
Article: Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors
Name: Supplementary information final from Methanol photo-reforming with water on pure titania for hydrogen production Date: 2020-01-01 00:00:00 UTC
Description: Methanol photo-reforming with water on pure titania for hydrogen production
DOI: 10.6084/m9.figshare.12376925.v1 Location: https://rs.figshare.com/articles/Supplementary_information_final_from_Methanol_photo-reforming_with_water_on_pure_titania_for_hydrogen_production/12376925/1
Article: Methanol photo-reforming with water on pure titania for hydrogen production
Name: Supplementary material from "Methanol photo-reforming with water on pure titania for hydrogen production" Date: 2020-01-01 00:00:00 UTC
Description: The behaviour of titania for the photo-reforming of methanol with water at ambient temperature h...
DOI: 10.6084/m9.figshare.c.4994573 Location: https://rs.figshare.com/collections/Supplementary_material_from_Methanol_photo-reforming_with_water_on_pure_titania_for_hydrogen_production_/4994573
Article: Methanol photo-reforming with water on pure titania for hydrogen production
Name: nb5289.pptx Date: 2020-11-20 00:00:00 UTC
Description: Supplementary data for DLSR: a solution to the parallax artefact in X-ray diffraction computed t...
DOI: Location: https://publcif.iucr.org/services/tools/figs/art2ppt.php?coedid=nb5289
Article: DLSR: a solution to the parallax artefact in X-ray diffraction computed tomography data
Name: rsta20200058supp1.docx Date: 2020-07-06 00:00:00 UTC
Description: Supplementary data for Methanol photo-reforming with water on pure titania for hydrogen production
DOI: Location: https://royalsocietypublishing.org/action/downloadSupplement?doi=10.1098%2Frsta.2020.0058&file=rsta20200058supp1.docx
Article: Methanol photo-reforming with water on pure titania for hydrogen production
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: Table S1: Coordinates of 29 molecules optimized at the B3LYP/6-311+G(d) level 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-2 Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-2
Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
Name: Table S2: Molecular energies of molecular No.1 (M1) to molecular No.29 (M29) (in kcal mol−1) calculated by 24 QM methods using the structure optimized at the B3LYP/6-311+G(d) level as starting structures 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-3 Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-3
Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
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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