UK Catalysis Hub Data Objects

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Repository (78)
1108 data objects found

Data objects
Name: CCDC 2121214: Experimental Crystal Structure Determination Date: 2022-01-01 00:00:00 UTC
Description: Amy E. Kynman, Luca K. Elghanayan, Addison N. Desnoyer, Yan Yang, Laurent Sévery, Andrea Di Gius...
DOI: 10.5517/ccdc.csd.cc296983 Location: https://dx.doi.org/10.5517/ccdc.csd.cc296983
Article: Controlled monodefluorination and alkylation of C(sp<sup>3</sup>)–F bonds by lanthanide photocatalysts: importance of metal–ligand cooperativity
Name: CCDC 2121215: Experimental Crystal Structure Determination Date: 2022-01-01 00:00:00 UTC
Description: Amy E. Kynman, Luca K. Elghanayan, Addison N. Desnoyer, Yan Yang, Laurent Sévery, Andrea Di Gius...
DOI: 10.5517/ccdc.csd.cc296994 Location: https://dx.doi.org/10.5517/ccdc.csd.cc296994
Article: Controlled monodefluorination and alkylation of C(sp<sup>3</sup>)–F bonds by lanthanide photocatalysts: importance of metal–ligand cooperativity
Name: CCDC 2217133: Experimental Crystal Structure Determination Date: 2022-01-01 00:00:00 UTC
Description: Amy E. Kynman, Luca K. Elghanayan, Addison N. Desnoyer, Yan Yang, Laurent Sévery, Andrea Di Gius...
DOI: 10.5517/ccdc.csd.cc2df3fd Location: https://dx.doi.org/10.5517/ccdc.csd.cc2df3fd
Article: Controlled monodefluorination and alkylation of C(sp<sup>3</sup>)–F bonds by lanthanide photocatalysts: importance of metal–ligand cooperativity
Name: Studying the strength of acid sites in an industrial ZSM-5 catalyst: MAPS Date: 2022-01-01 00:00:00 UTC
Description: Abstract: As part of an on-going programme of work to better understand critical factors in the ...
DOI: 10.5286/isis.e.rb1910561 Location: https://data.isis.stfc.ac.uk/doi/STUDY/103212687/
Article: Counting the Acid Sites in a Commercial ZSM-5 Zeolite Catalyst
Name: Neutron diffraction of activated zeolite Date: 2022-01-01 00:00:00 UTC
Description: Data collected on the POLARIS instrument at the ISIS facility
DOI: 10.5286/isis.e.rb1990175-1 Location: https://topcat.isis.stfc.ac.uk/doi/INVESTIGATION/105573194/
Article: Counting the Acid Sites in a Commercial ZSM-5 Zeolite Catalyst
Name: QM/MM study of the stability of dimethyl ether in zeolites H-ZSM-5 and H-Y: data Date: 2020-01-01 00:00:00 UTC
Description: The dataset presented is associated with a computational investigation of how a crucial intermed...
DOI: 10.17035/d.2020.0122278013 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/122278013
Article: QM/MM study of the stability of dimethyl ether in zeolites H-ZSM-5 and H-Y
Name: CCDC 2207317: Experimental Crystal Structure Determination Date: 2023-01-01 00:00:00 UTC
Description: Wilfred T. Diment, Gloria Rosetto, Noura Ezaz-Nikpay, Ryan W. F. Kerr, Charlotte K. Williams CCD...
DOI: 10.5517/ccdc.csd.cc2d2ws5 Location: https://dx.doi.org/10.5517/ccdc.csd.cc2d2ws5
Article: A highly active, thermally robust iron(<scp>iii</scp>)/potassium(<scp>i</scp>) heterodinuclear catalyst for bio-derived epoxide/anhydride ring-opening copolymerizations
Name: CCDC 2207318: Experimental Crystal Structure Determination Date: 2023-01-01 00:00:00 UTC
Description: Wilfred T. Diment, Gloria Rosetto, Noura Ezaz-Nikpay, Ryan W. F. Kerr, Charlotte K. Williams CCD...
DOI: 10.5517/ccdc.csd.cc2d2wt6 Location: https://dx.doi.org/10.5517/ccdc.csd.cc2d2wt6
Article: A highly active, thermally robust iron(<scp>iii</scp>)/potassium(<scp>i</scp>) heterodinuclear catalyst for bio-derived epoxide/anhydride ring-opening copolymerizations
Name: am2c06982_si_001.pdf Date: 2022-08-09 00:00:00 UTC
Description: Supporting Information Unlocking Molecular Secret in Monomer-Assembly-Promoted Zn-Metalated Cata...
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/acsami.2c06982/suppl_file/am2c06982_si_001.pdf
Article: Unlocking Molecular Secrets in a Monomer-Assembly-Promoted Zn-Metalated Catalytic Porous Organic Polymer for Light-Responsive CO<sub>2</sub> Insertion
Name: Data for "Mechanistic insight into the framework methylation of H-ZSM-5 for varying methanol loading and Si/Al ratio using first principles molecular dynamics simulations" Date: 2020-01-01 00:00:00 UTC
Description: Data is presented for: a) The interaction distances between specific atoms of interest (defined...
DOI: 10.17035/d.2020.0111777454 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/111777454
Article: Mechanistic Insight into the Framework Methylation of H-ZSM-5 for Varying Methanol Loadings and Si/Al Ratios Using First-Principles Molecular Dynamics Simulations
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 344
https://pubs.acs.org 146
https://www.rsc.org 130
https://static-content.springer.com 85
https://ars.els-cdn.com 60
https://chemistry-europe.onlinelibrary.wiley.com 50
https://onlinelibrary.wiley.com 33
https://www.rcsb.org 28
https://www.nature.com 22
https://data.isis.stfc.ac.uk 19
Summary
Repositories 78
Average: 14.21
Maximum: 344
Minimum: 1
Groups Data objects
1-5 57
6-10 7
11-15 4
16-20 1
more than 20 9
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Data object groups
Group Data objects
Compressed file [zip] 11
Crystal structure [cif/pdbe] 438
Dataset 101
Document [pdf/html/docx/ppt] 518
Media File (image/video) 26
Protein Sequence 1
Software [app/api/service/source code] 7
xyz 6
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Recent data objects
Name Description Publised
41598_2023_43523_MOESM1_ESM.pdf Free energy along drug-protein binding pathways interactively sampled in... 2023
adma202302825-sup-0001-SuppMat.pdf Supporting Information for Adv. Mater., DOI 10.1002/adma.202302825... 2023
ja3c05863_si_001.pdf Supporting information: Chemical Recycling of Commercial Poly(L-lactic a... 2023
emi16488-sup-0001-Supinfo.docx Copper bioreduction and nanoparticle synthesis by an enrichment culture ... 2023
41467_2023_40284_MOESM2_ESM.pdf Peer Review File Understanding Catalytic Synergy in Dinuclear Polymeriza... 2023
41467_2023_40284_MOESM1_ESM.pdf Supl. Information Understanding Catalytic Synergy in Dinuclear Polymeriz... 2023
1-s2.0-S0021951723001677-mmc1.pdf Supporting Information Efficient low-loaded ternary Pd-In2O3-Al2O3 catal... 2023
adfm202302102-sup-0001-SuppMat.pdf Supporting Information for Adv. Funct. Mater., DOI: 10.1002/adfm.2023021... 2023
zaac202300016-sup-0001-misc_information.pdf Supporting Information Torsional Control of Frustrated Lewis Pair Behavi... 2023
jp3c00952_si_001.pdf Electronic Supl. Information (ESI) Study and modeling of the kinetics of... 2023

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