UK Catalysis Hub Data Objects

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Repository (78)
1207 data objects found

Data objects
Name: Enzyme Activity by Design: An Artificial Rhodium Hydroformylase for Linear Aldehyes Date: 2017-01-01 00:00:00 UTC
Description: Data files relating to the paper ' Enzyme Activity by Design: An Artificial Rhodium Hydroformyla...
DOI: 10.17630/03fa38f2-b858-4fff-a478-83e61672955c Location: https://risweb.st-andrews.ac.uk:443/portal/en/datasets/enzyme-activity-by-design-an-artificial-rhodium-hydroformylase-for-linear-aldehyes(03fa38f2-b858-4fff-a478-83e61672955c).html
Article: Enzyme Activity by Design: An Artificial Rhodium Hydroformylase for Linear Aldehydes
Name: Enlighten2 source code Date: 2020-10-15 00:00:00 UTC
Description: The code for the plugin is available as a separate GitHub repository
DOI: Location: https://github.com/vanderkamp/enlighten2-pymol
Article: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible
Name: Enlighten2 Python package Date: 2020-10-15 00:00:00 UTC
Description: The source code for the Enlighten2 Python package and the Dockerfile used to create the Docker i...
DOI: Location: https://github.com/vanderkamp/enlighten2
Article: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible
Name: Enlighten2 PyMOL plugin c Date: 2020-10-15 00:00:00 UTC
Description: The Enlighten2 PyMOL plugin code can be downloaded directly from the project website (https://en...
DOI: Location: https://enlighten2.github.io/
Article: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible
Name: Elementary Steps in the Formation of Hydrocarbons from Surface Methoxy Groups in HZSM-5 seen by Synchrotron Infrared Microspectroscopy (dataset) Date: 2019-01-01 00:00:00 UTC
Description: Elementary Steps in the Formation of Hydrocarbons from Surface Methoxy Groups in HZSM-5 seen by ...
DOI: 10.17630/d0e5a924-8850-4fe4-a56f-b00c7472f25a Location: https://risweb.st-andrews.ac.uk/portal/en/datasets/elementary-steps-in-the-formation-of-hydrocarbons-from-surface-methoxy-groups-in-hzsm5-seen-by-synchrotron-infrared-microspectroscopy-dataset(d0e5a924-8850-4fe4-a56f-b00c7472f25a).html
Article: Elementary Steps in the Formation of Hydrocarbons from Surface Methoxy Groups in HZSM-5 Seen by Synchrotron Infrared Microspectroscopy
Name: Electronic supporting information: Determination of the Nature of the Cu Coordination Complexes Formed in the Presence of NO and NH3 within SSZ-13 Date: 2015-10-01 00:00:00 UTC
Description: PD analysis (Rietveld refinement; atomic coordinates, thermal parameters and site occupancies; b...
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/acs.jpcc.5b06875/suppl_file/jp5b06875_si_001.pdf
Article: Determination of the Nature of the Cu Coordination Complexes Formed in the Presence of NO and NH<sub>3</sub> within SSZ-13
Name: Electronic Supporting Information For Chain End-Group Selectivity Using an Organometallic Al(III)/K(I) Ring-Opening Copolymerization Catalyst Delivers High Molar Mass, Monodisperse Polyesters Date: 2022-07-13 00:00:00 UTC
Description: Experimental procedures, complex characterization data (NMR, IR and elemental analysis) and furt...
DOI: Location: https://www.rsc.org/suppdata/d2/sc/d2sc02752f/d2sc02752f1.pdf
Article: Chain end-group selectivity using an organometallic Al(<scp>iii</scp>)/K(<scp>i</scp>) ring-opening copolymerization catalyst delivers high molar mass, monodisperse polyesters
Name: Electronic Supporting Information (ESI) Structural Selectivity of Supported Pd Nanoparticles: Selective Ethanol Ammoxidation to Acetonitrile Date: 2024-04-18 00:00:00 UTC
Description: Electronic Supplementary Material (ESI) for EES Catalysis.
DOI: Location: https://www.rsc.org/suppdata/d4/ey/d4ey00044g/d4ey00044g1.pdf
Article: Structural selectivity of supported Pd nanoparticles: selective ethanol ammoxidation to acetonitrile
Name: Electronic Supplementary Material (ESI) for Nanoscale. Phase control during the synthesis of nickel sulfide nanoparticles from dithiocarbamate precursors. Date: 2016-04-28 00:00:00 UTC
Description: Supplementary Information for article
DOI: Location: https://www.rsc.org/suppdata/c6/nr/c6nr00053c/c6nr00053c1.pdf
Article: Phase control during the synthesis of nickel sulfide nanoparticles from dithiocarbamate precursors
Name: Electronic Supplementary Information ESI: 3D printed, plastic photocatalytic flow reactors for water purification Date: 2022-05-24 00:00:00 UTC
Description: Supplementary data to article
DOI: Location: https://static-content.springer.com/esm/art%3A10.1007%2Fs43630-022-00242-y/MediaObjects/43630_2022_242_MOESM1_ESM.docx
Article: 3D printed, plastic photocatalytic flow reactors for water purification
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 78
Average: 15.47
Maximum: 353
Minimum: 1
Groups Data objects
1-5 57
6-10 7
11-15 4
more than 20 10
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Data object groups
Group Data objects
Compressed file [zip] 14
Crystal structure [cif/pdbe] 436
Dataset 127
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
LaMnO3 catalytic behaviour Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
Catalysts in gasoline particulate filters Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
Reproducing the FeS2 Example from the Demeter Tutorials These files are provided to complement the learning materials for managi... 2024
Pt3Sn nanoparticle electrocatalysts Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
Pd-Al2O3 Catalyst for Ammonia Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
N2O decomposition on LaMnO3 Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
MoOx/Al2O3 Cyclic Operation Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
Ultra-dilute Au colloids Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
Diphosphine ligands in iron Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
Palladium-Catalyzed CO Oxidation Galaxy RO Crate object containing the workflow and data with the reprodu... 2024

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