UK Catalysis Hub Data Objects

Search:

Repository (78)
425 data objects found

Data objects
Name: Athavan_AppliedPhysicsLetters2024 Copies of coordinate files (in xyz format) for the calculated structure Date: 2024-04-01 00:00:00 UTC
Description: Copies of coordinate files (in xyz format) for the calculated structure
DOI: 10.5523/bris.mz85vyusop082j481j2ddl1rf Location: https://data.bris.ac.uk/data/dataset/mz85vyusop082j481j2ddl1rf
Article: A re-examination of claims of aminoferrocene–graphene-based molecular magnets
Name: A Multiscale Workflow for Modelling Ligand Complexes of Zinc Metalloproteins Date: 2021-11-03 00:00:00 UTC
Description: Representative MD trajectories, topologies and input files for the protein:ligand complexes pres...
DOI: 10.5523/bris.10p78zgsappbz226bzrdagabq9 Location: https://data.bris.ac.uk/data/dataset/10p78zgsappbz226bzrdagabq9
Article: Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins
Name: CCDC 1007371: Experimental Crystal Structure Determination Date: 2015-01-01 00:00:00 UTC
Description: Related Article: Andrey V. Protchenko, Deepak Dange, Matthew P. Blake, Andrew D. Schwarz, Ca...
DOI: 10.5517/cc12t7vz Location: http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc12t7vz&sid=DataCite
Article: Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals
Name: CCDC 1007372: Experimental Crystal Structure Determination Date: 2015-01-01 00:00:00 UTC
Description: Related Article: Andrey V. Protchenko, Deepak Dange, Matthew P. Blake, Andrew D. Schwarz, Ca...
DOI: 10.5517/cc12t7w0 Location: http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc12t7w0&sid=DataCite
Article: Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals
Name: CCDC 1007373: Experimental Crystal Structure Determination Date: 2015-01-01 00:00:00 UTC
Description: Related Article: Andrey V. Protchenko, Deepak Dange, Matthew P. Blake, Andrew D. Schwarz, Ca...
DOI: 10.5517/cc12t7x1 Location: http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc12t7x1&sid=DataCite
Article: Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals
Name: CCDC 1007374: Experimental Crystal Structure Determination Date: 2015-01-01 00:00:00 UTC
Description: Related Article: Andrey V. Protchenko, Deepak Dange, Matthew P. Blake, Andrew D. Schwarz, Ca...
DOI: 10.5517/cc12t7y2 Location: http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc12t7y2&sid=DataCite
Article: Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals
Name: CCDC 1007375: Experimental Crystal Structure Determination Date: 2015-01-01 00:00:00 UTC
Description: Related Article: Andrey V. Protchenko, Deepak Dange, Matthew P. Blake, Andrew D. Schwarz, Ca...
DOI: 10.5517/cc12t7z3 Location: http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc12t7z3&sid=DataCite
Article: Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals
Name: CCDC 1007376: Experimental Crystal Structure Determination Date: 2015-01-01 00:00:00 UTC
Description: Related Article: Andrey V. Protchenko, Deepak Dange, Matthew P. Blake, Andrew D. Schwarz, Ca...
DOI: 10.5517/cc12t805 Location: http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc12t805&sid=DataCite
Article: Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals
Name: CCDC 1008799: Experimental Crystal Structure Determination Date: 2015-01-01 00:00:00 UTC
Description: Related Article: Andrey V. Protchenko, Deepak Dange, Matthew P. Blake, Andrew D. Schwarz, Ca...
DOI: 10.5517/cc12vqxk Location: http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc12vqxk&sid=DataCite
Article: Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals
Name: CCDC 1027606: Experimental Crystal Structure Determination Date: 2017-01-01 00:00:00 UTC
Description: Related Article: Pavol Jakubec, Michael E. Muratore, Isabelle Aillaud, Amber L. Thompson, Darren...
DOI: 10.5517/ccdc.csd.cc13h9lh Location: http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc13h9lh&sid=DataCite
Article: Design, synthesis and applications of new families of chiral sulfonic acids
Data objects per year
Loading...
Data objects accumulated vs. per year
Loading...
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
Loading...

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
Loading...
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

The actions below are scheduled and processed in the background