UK Catalysis Hub Data Objects

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463 data objects found

Data objects
Name: SI for: Teaching Enzyme Catalysis Using Interactive Molecular Dynamics in Virtual Reality Date: 2019-07-23 00:00:00 UTC
Description: Related Article: Bennie, Simon J., Ranaghan, Kara E., Deeks, Helen, Goldsmith, Heather E., O’Con...
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/acs.jchemed.9b00181/suppl_file/ed9b00181_si_003.pdf
Article: Teaching Enzyme Catalysis Using Interactive Molecular Dynamics in Virtual Reality
Name: SI for: Successive Protonation of an N-Heterocyclic Imine Derived Carbonyl: Superelectrophilic Dication Versus Masked Acylium Ion Date: 2018-12-04 00:00:00 UTC
Description: Related Article: Loh, Ying Kai, Ángeles\u2005Fuentes, M., Vasko, Petra, Aldridge, Simon(2018) Su...
DOI: Location: https://onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fange.201810709&file=ange201810709-sup-0001-misc_information.pdf
Article: Successive Protonation of an N-Heterocyclic Imine Derived Carbonyl: Superelectrophilic Dication Versus Masked Acylium Ion
Name: SI for: Reversible O–H bond activation by an intramolecular frustrated Lewis pair Date: 2019-02-07 00:00:00 UTC
Description: Related Article: Vasko, Petra, Fuentes, M. Ángeles, Hicks, Jamie, Aldridge, Simon(2019) Reversib...
DOI: Location: https://www.rsc.org/suppdata/c9/dt/c9dt00228f/c9dt00228f1.pdf
Article: Reversible O–H bond activation by an intramolecular frustrated Lewis pair
Name: SI for: Resistance to the “last resort” antibiotic colistin: a single-zinc mechanism for phosphointermediate formation in MCR enzymes Date: 2020-05-06 00:00:00 UTC
Description: Related Article: Lythell, Emily, Suardíaz, Reynier, Hinchliffe, Philip, Hanpaibool, Chonnikan, V...
DOI: Location: https://www.rsc.org/suppdata/d0/cc/d0cc02520h/d0cc02520h1.pdf
Article: Resistance to the “last resort” antibiotic colistin: a single-zinc mechanism for phosphointermediate formation in MCR enzymes
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
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: Following the Formation of Silver Nanoparticles Using In Situ X-ray Absorption Spectroscopy Date: 2020-06-04 00:00:00 UTC
Description: Related Article: Godfrey, Ian J., Dent, Andrew J., Parkin, Ivan P., Maenosono, Shinya, Sankar, G...
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/acsomega.0c00697/suppl_file/ao0c00697_si_001.pdf
Article: Following the Formation of Silver Nanoparticles Using In Situ X-ray Absorption Spectroscopy
Name: SI for: Cooperative N–H bond activation by amido-Ge(ii) cations Date: 2020-06-25 00:00:00 UTC
Description: Related Article: Zhou, Xueer, Vasko, Petra, Hicks, Jamie, Fuentes, M. Ángeles, Heilmann, Andreas...
DOI: Location: https://www.rsc.org/suppdata/d0/dt/d0dt01960g/d0dt01960g1.pdf
Article: Cooperative N–H bond activation by amido-Ge(ii) cations
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: An N‐Heterocyclic Boryloxy Ligand Isoelectronic with N‐Heterocyclic Imines: Access to an Acyclic Dioxysilylene and its Heavier Congeners Date: 2019-03-25 00:00:00 UTC
Description: Related Article: Loh, Ying Kai, Ying, Lu, Ángeles\u2005Fuentes, M., Do, Dinh Cao Huan, Aldridge,...
DOI: Location: https://onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fanie.201812058&file=anie201812058-sup-0001-misc_information.pdf
Article: An N‐Heterocyclic Boryloxy Ligand Isoelectronic with N‐Heterocyclic Imines: Access to an Acyclic Dioxysilylene and its Heavier Congeners
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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