UK Catalysis Hub Data Objects

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463 data objects found

Data objects
Name: chem201703567-sup-0001-misc_information.pdf Date: 2017-09-26 00:00:00 UTC
Description: Supplementary data for Mechanism of the Catalytic Carboxylation of Alkylboronates with CO2 Using...
DOI: Location: https://chemistry-europe.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fchem.201703567&file=chem201703567-sup-0001-misc_information.pdf&cookieSet=1
Article: Mechanism of the Catalytic Carboxylation of Alkylboronates with CO2 Using Ni−NHC Complexes: A DFT Study
Name: chem201704151-sup-0001-misc_information.pdf Date: 2018-01-24 00:00:00 UTC
Description: Supplementary data for The Role of Mg(OH)2 in the So-Called “Base-Free” Oxidation of Glycerol wi...
DOI: Location: https://chemistry-europe.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fchem.201704151&file=chem201704151-sup-0001-misc_information.pdf&cookieSet=1
Article: The Role of Mg(OH)2 in the So-Called “Base-Free” Oxidation of Glycerol with AuPd Catalysts
Name: chem201805250-sup-0001-misc_information.pdf Date: 2018-12-13 00:00:00 UTC
Description: Supplementary data for Quantum Mechanics/Molecular Mechanics Simulations Show Saccharide Distort...
DOI: Location: https://chemistry-europe.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fchem.201805250&file=chem201805250-sup-0001-misc_information.pdf&cookieSet=1
Article: Quantum Mechanics/Molecular Mechanics Simulations Show Saccharide Distortion is Required for Reaction in Hen Egg‐White Lysozyme
Name: chem201901188-sup-0001-misc_information.pdf Date: 2019-07-02 00:00:00 UTC
Description: Supplementary data for Integrated Theoretical and Empirical Studies for Probing Substrate–Framew...
DOI: Location: https://chemistry-europe.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fchem.201901188&file=chem201901188-sup-0001-misc_information.pdf&cookieSet=1
Article: Integrated Theoretical and Empirical Studies for Probing Substrate–Framework Interactions in Hierarchical Catalysts
Name: chem202101140-sup-0001-misc_information.pdf Date: 2021-07-09 00:00:00 UTC
Description: Supplementary data for Heterodinuclear Zn(II), Mg(II) or Co(III) with Na(I) Catalysts for Carbon...
DOI: Location: https://chemistry-europe.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fchem.202101140&file=chem202101140-sup-0001-misc_information.pdf
Article: Heterodinuclear Zn(II), Mg(II) or Co(III) with Na(I) Catalysts for Carbon Dioxide and Cyclohexene Oxide Ring Opening Copolymerizations
Name: chem202300228-sup-0001-misc_information.pdf Date: 2023-05-08 00:00:00 UTC
Description: Supporting Information Matched Ligands for Small, Stable Colloidal Nanoparticles of Copper, Cupr...
DOI: Location: https://chemistry-europe.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fchem.202300228&file=chem202300228-sup-0001-misc_information.pdf
Article: Matched Ligands for Small, Stable Colloidal Nanoparticles of Copper, Cuprous Oxide and Cuprous Sulfide
Name: ci8b00940_si_001.pdf Date: 2019-02-22 00:00:00 UTC
Description: Supplementary data for Projector-Based Embedding Eliminates Density Functional Dependence for QM...
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/acs.jcim.8b00940/suppl_file/ci8b00940_si_001.pdf?cookieSet=1
Article: Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution
Name: cm503433q_si_001.pdf Date: 2015-02-25 00:00:00 UTC
Description: Supplementary data for Highly Tunable Catalyst Supports for Single-Site Ethylene Polymerization
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/cm503433q/suppl_file/cm503433q_si_001.pdf?cookieSet=1
Article: Highly Tunable Catalyst Supports for Single-Site Ethylene Polymerization
Name: cm5b00866_si_001.pdf Date: 2015-05-08 00:00:00 UTC
Description: Supplementary data for Restructuring of AuPd Nanoparticles Studied by a Combined XAFS/DRIFTS App...
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/acs.chemmater.5b00866/suppl_file/cm5b00866_si_001.pdf?cookieSet=1
Article: Restructuring of AuPd Nanoparticles Studied by a Combined XAFS/DRIFTS Approach
Name: cm7b02552_si_001.pdf Date: 2017-08-15 00:00:00 UTC
Description: Supplementary data for Combined In Situ XAFS/DRIFTS Studies of the Evolution of Nanoparticle Str...
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/acs.chemmater.7b02552/suppl_file/cm7b02552_si_001.pdf?cookieSet=1
Article: Combined In Situ XAFS/DRIFTS Studies of the Evolution of Nanoparticle Structures from Molecular Precursors
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: 15.28
Maximum: 353
Minimum: 1
Groups Data objects
1-5 58
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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