Themes

The list includes published data objects supporting UKCH publications


Repository (74)
1363 data objects found

Data objects
Name: CCDC 2204127: Experimental Crystal Structure Determination Date: 2022-08-27 00:00:00 UTC
Description: Yujie Ma, Xue Han⊗, Shaojun Xu, Zhe Li, Wanpeng Lu, Bing An, Daniel Lee, Sarayute Chansai, Ale...
DOI: 10.5517/ccdc.csd.cc2czkwt Location: https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=2204127
Article: Direct Conversion of Methane to Ethylene and Acetylene over an Iron-Based Metal–Organic Framework
Name: CCDC 2204128: Experimental Crystal Structure Determination Date: 2022-08-27 00:00:00 UTC
Description: Yujie Ma, Xue Han⊗, Shaojun Xu, Zhe Li, Wanpeng Lu, Bing An, Daniel Lee, Sarayute Chansai, Ale...
DOI: 10.5517/ccdc.csd.cc2czkxv Location: https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=2204128
Article: Direct Conversion of Methane to Ethylene and Acetylene over an Iron-Based Metal–Organic Framework
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: Narupa 2 Protocol Date: 2022-04-25 00:00:00 UTC
Description: The programs necessary for running a standalone simulation of trypsin and benzamidine in Narupa ...
DOI: Location: https://gitlab.com/intangiblerealities/narupa-protocol
Article: Free energy along drug-protein binding pathways interactively sampled in virtual reality
Name: 41598_2023_43523_MOESM1_ESM.pdf Date: 2023-10-04 00:00:00 UTC
Description: Free energy along drug-protein binding pathways interactively sampled in virtual reality Support...
DOI: Location: https://static-content.springer.com/esm/art%3A10.1038%2Fs41598-023-43523-x/MediaObjects/41598_2023_43523_MOESM1_ESM.pdf
Article: Free energy along drug-protein binding pathways interactively sampled in virtual reality
Name: CCDC 2094910: Experimental Crystal Structure Determination Date: 2021-07-07 00:00:00 UTC
Description: Electronic supplementary information (ESI) available: Detailed experimentalsections, supplementa...
DOI: 10.5517/ccdc.csd.cc289xr8 Location: https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=2094910
Article: Enhancing the performance for palladium catalysed <i>tert</i>-butyl hydroperoxide-mediated Wacker-type oxidation of alkenes
Name: emi16488-sup-0001-Supinfo.docx Date: 2023-09-11 00:00:00 UTC
Description: Copper bioreduction and nanoparticle synthesis by an enrichment culture from a former copper min...
DOI: Location: https://ami-journals.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1111%2F1462-2920.16488&file=emi16488-sup-0001-Supinfo.docx
Article: Copper bioreduction and nanoparticle synthesis by an enrichment culture from a former copper mine
Name: aic16410-sup-0001-appendixS1.doc Date: 2019-01-15 00:00:00 UTC
Description: Supplementary Information Pore Network Modeling of Catalyst Deactivation by Coking, from Single ...
DOI: Location: https://aiche.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Faic.16410&file=aic16410-sup-0001-appendixS1.doc
Article: Pore network modeling of catalyst deactivation by coking, from single site to particle, during propane dehydrogenation
Name: advs5357-sup-0001-SuppMat.pdf Date: 2023-05-23 00:00:00 UTC
Description: Supporting Information for: A low-temperature synthetic route towards a high-entropy 2D hexernar...
DOI: Location: https://onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fadvs.202204488&file=advs5357-sup-0001-SuppMat.pdf
Article: A Low‐Temperature Synthetic Route Toward a High‐Entropy 2D Hexernary Transition Metal Dichalcogenide for Hydrogen Evolution Electrocatalysis
Name: advs5357-sup-0002-SuppMat.cif Date: 2023-05-23 00:00:00 UTC
Description: crystal file
DOI: Location: https://onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fadvs.202204488&file=advs5357-sup-0002-SuppMat.cif
Article: A Low‐Temperature Synthetic Route Toward a High‐Entropy 2D Hexernary Transition Metal Dichalcogenide for Hydrogen Evolution Electrocatalysis
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 394
https://pubs.acs.org 202
https://www.rsc.org 178
https://static-content.springer.com 106
https://ars.els-cdn.com 95
https://onlinelibrary.wiley.com 60
https://chemistry-europe.onlinelibrary.wiley.com 56
https://data.isis.stfc.ac.uk 38
https://www.rcsb.org 26
https://www.nature.com 22
Summary
Repositories 74
Average: 18.42
Maximum: 394
Minimum: 1
Groups Data objects
1-5 54
6-10 7
16-20 3
more than 20 10
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Data object groups
Group Data objects
Compressed file [zip] 35
Crystal structure [cif/pdbe] 464
Dataset 138
Document [pdf/html/docx/ppt] 680
Media File (image/video) 33
Software [app/api/service/source code] 7
xyz 6
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Recent data objects
Name Description Publised
INS to understand the nature of intermediates in the pyrolysis of LDPE using ZSM-5 catalyst he issue of plastic waste is a global concern, and ?chemical recycling? ... 2026
INS study of multifunctional zeolites for catalytic conversion of methanol to lower olefins Professor Sihai Yang et al; (2023): INS study of multifunctional zeolit... 2026
SI for: Heterogeneous catalysis of large biomolecules: insights from platinum particle size in NAD <sup>+</sup> regeneration Supl. data to article... 2026
SI for: Structural and reactivity investigations using organo-copper(<scp>i</scp>) and zinc(<scp>ii</scp>) complexes with hydrogen and carbon dioxide Supl. data to article... 2026
SI for: Structural and reactivity investigations using organo-copper(<scp>i</scp>) and zinc(<scp>ii</scp>) complexes with hydrogen and carbon dioxide Supl. data to article... 2026
INS study of multifunctional zeolites for catalytic conversion of methanol to lower olefins Sihai Yang et al; (2023): INS study of multifunctional zeolites for cata... 2025
SI for: Impact of zeolite properties on catalytic hydrodeoxygenation: Spatially segregated metal-acid site engineering for enhanced cascade efficiency Supl. data to article... 2025
SI for: Mechanistic insights into slow pyrolysis of hydrothermal carbon Supl. data to article... 2025
SI for: Methane splitting to hydrogen and base growth carbon nanotubes over Fe-based catalysts Supl. data to article... 2025
SI for: Paradigmatic demonstration of sonochemical carbon dioxide reduction proceeded over Cu-based catalysts Supl. data to article... 2025

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