UK Catalysis Hub Data Objects

Search:

Repository (78)
99 data objects found

Data objects
Name: Crystal structure data Date: 2022-11-08 00:00:00 UTC
Description: Crystal structure data
DOI: Location: https://www.rsc.org/suppdata/d2/sc/d2sc04192h/d2sc04192h2.cif
Article: Controlled monodefluorination and alkylation of C(sp<sup>3</sup>)–F bonds by lanthanide photocatalysts: importance of metal–ligand cooperativity
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
Name: Document S1. Supplemental experimental procedures, Figures S1–S15, and Tables S1–S8. Date: 2021-02-17 00:00:00 UTC
Description: Document S1. Supplemental experimental procedures, Figures S1–S15, and Tables S1–S8.
DOI: Location: https://ars.els-cdn.com/content/image/1-s2.0-S2666386421000345-mmc1.pdf
Article: Catalytic decomposition of NO2 over a copper-decorated metal–organic framework by non-thermal plasma
Name: Document S2. Article plus supplemental information. Date: 2021-02-17 00:00:00 UTC
Description: Document S2. Article plus supplemental information.
DOI: Location: https://ars.els-cdn.com/content/image/1-s2.0-S2666386421000345-mmc2.pdf
Article: Catalytic decomposition of NO2 over a copper-decorated metal–organic framework by non-thermal plasma
Name: Enlighten2 Python package Date: 2020-10-15 00:00:00 UTC
Description: The source code for the Enlighten2 Python package and the Dockerfile used to create the Docker i...
DOI: Location: https://github.com/vanderkamp/enlighten2
Article: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible
Name: Enlighten2 source code Date: 2020-10-15 00:00:00 UTC
Description: The code for the plugin is available as a separate GitHub repository
DOI: Location: https://github.com/vanderkamp/enlighten2-pymol
Article: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible
Name: H2 production by the photocatalytic reforming of cellulose and raw biomass using Ni, Pd, Pt and Au on titania Date: 2016-07-01 00:00:00 UTC
Description: A method has been developed for sustainable hydrogen production using sunlight and biomass. It i...
DOI: 10.17035/d.2016.0011488532 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/11488532?auxfun=&lang=en_GB
Article: H2 production by the photocatalytic reforming of cellulose and raw biomass using Ni, Pd, Pt and Au on titania
Name: How bulk and surface properties of Ti4SiC3, V4SiC3, Nb4SiC3 and Zr4SiC3 tune reactivity: a computational study - data Date: 2021-01-01 00:00:00 UTC
Description: The bulk and surface properties of early transition metal silicon carbides as well as their acti...
DOI: 10.17035/d.2021.0128671491 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/128671491?auxfun=&lang=en_GB
Article: How bulk and surface properties of Ti4SiC3, V4SiC3, Nb4SiC3 and Zr4SiC3 tune reactivity: a computational study
Name: Identification of C2-C5 products from CO2 hydrogenation over PdZn/TiO2-ZSM-5 hybrid catalysts - data Date: 2019-06-01 00:00:00 UTC
Description: A PdZn/TiO2 methanol catalysts was physically mixed with different ZSM-5 zeolites with different...
DOI: 10.17035/d.2021.0129194354 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/129194354?auxfun=&lang=en_GB
Article: Identification of C2–C5 products from CO2 hydrogenation over PdZn/TiO2–ZSM-5 hybrid catalysts
Name: LanCL Date: 2021-05-12 00:00:00 UTC
Description: Mass spectrometry and Western blot data supporting the function of LanCL proteins published in C...
DOI: 10.17632/sgjzwcxgsr.1 Location: https://data.mendeley.com/datasets/sgjzwcxgsr/1
Article: LanCLs add glutathione to dehydroamino acids generated at phosphorylated sites in the proteome
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