UK Catalysis Hub Data Objects

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Repository (78)
174 data objects found

Data objects
Name: supplementary (supplementary) for article Date: 2022-02-21 00:00:00 UTC
Description: Supplementary data for Directing the H<sub>2</sub>-driven selective regeneration of NADH <i>via<...
DOI: Location: https://www.rsc.org/suppdata/d1/gc/d1gc04414a/d1gc04414a1.pdf
Article: Directing the H<sub>2</sub>-driven selective regeneration of NADH <i>via</i> Sn-doped Pt/SiO<sub>2</sub>
Name: Supplementary Information File for Article Date: 2016-12-21 00:00:00 UTC
Description: Related Article: Heteroleptic, two-coordinate [M(NHC){N(SiMe3)2}] (M = Co, Fe) complexes: synthe...
DOI: Location: https://www.rsc.org/suppdata/c6/dt/c6dt03565e/c6dt03565e1.pdf
Article: Heteroleptic, two-coordinate M(NHC){N(SiMe3)2}] (M = Co, Fe) complexes: synthesis, reactivity and magnetism rationalized by an unexpected metal oxidation state
Name: Crystal Structure Data Date: 2016-12-21 00:00:00 UTC
Description: Related Article: Heteroleptic, two-coordinate [M(NHC){N(SiMe3)2}] (M = Co, Fe) complexes: synthe...
DOI: Location: https://www.rsc.org/suppdata/c6/dt/c6dt03565e/c6dt03565e2.cif
Article: Heteroleptic, two-coordinate M(NHC){N(SiMe3)2}] (M = Co, Fe) complexes: synthesis, reactivity and magnetism rationalized by an unexpected metal oxidation state
Name: Supporting Information Tailoring the selectivity to glyceraldehyde by tuning the acid-based properties of Au catalysts Date: 2014-10-17 00:00:00 UTC
Description: Supporting Information Tailoring the selectivity to glyceraldehyde by tuning the acid-based prop...
DOI: Location: https://www.rsc.org/suppdata/cy/c4/c4cy01246a/c4cy01246a1.pdf
Article: Tailoring the selectivity of glycerol oxidation by tuning the acid–base properties of Au catalysts
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: Supplementary Data Nanocubes of Mo6S8 Chevrel Phase as Active Electrode Material for Aqueous Lithium-Ion Batteries Date: 2022-06-23 00:00:00 UTC
Description: Electronic supplementary information (ESI) available
DOI: Location: https://www.rsc.org/suppdata/d2/nr/d2nr02014a/d2nr02014a1.pdf
Article: Nanocubes of Mo<sub>6</sub>S<sub>8</sub> Chevrel phase as active electrode material for aqueous lithium-ion batteries
Name: Free energy for drug-protein binding from human-guided atomistic simulations in virtual reality - Supplementary Files Date: 2022-06-18 00:00:00 UTC
Description: iMD-VR trajectories, narupa inputs, system parameters, and umbrella sampling data. Information a...
DOI: 10.5281/zenodo.6659616.svg Location: https://zenodo.org/records/6659616
Article: Free energy along drug-protein binding pathways interactively sampled in virtual reality
Name: PDB Entry - 6TAE Date: 2020-04-08 00:00:00 UTC
Description: PDB Entry - 6TAE Neutron structure of ferric ascorbate peroxidase
DOI: 10.2210/pdb6tae/pdb Location: https://www.wwpdb.org/pdb?id=pdb_00006TAE http://www.ebi.ac.uk/pdbe-srv/view/entry/6tae https://www.rcsb.org/structure/6TAE
Article: Visualizing the protons in a metalloenzyme electron proton transfer pathway
Name: PDB Entry - 6XV4 Date: 2020-04-08 00:00:00 UTC
Description: PDB Entry - 6XV4 Neutron structure of ferric ascorbate peroxidase-ascorbate complex
DOI: 10.2210/pdb6xv4/pdb Location: https://www.wwpdb.org/pdb?id=pdb_00006XV4 http://www.ebi.ac.uk/pdbe-srv/view/entry/6xv4 https://www.rcsb.org/structure/6XV4
Article: Visualizing the protons in a metalloenzyme electron proton transfer pathway
Name: Reductive site-selective atypical C,Z-type / N2–C2 cleavage allows C-terminal protein amidation Date: 2022-04-12 00:00:00 UTC
Description: Raw data used in the publication "Reductive site-selective atypical C,Z-type / N2–C2 cleavage ...
DOI: 10.5281/zenodo.5736482.svg Location: https://zenodo.org/records/5736482
Article: Reductive site-selective atypical <i>C</i> , <i>Z</i> -type/N2-C2 cleavage allows C-terminal protein amidation
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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