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12 data objects found

Data objects
Name: Dataset for the publication: "The methyl torsion in unsaturated compounds" published in ACS Omega (2019) by Zachariou et al. Date: 2019-11-29 00:00:00 UTC Description: This dataset contains the information (both experimental and computational) that was the basis o... DOI: 10.5286/edata/736 Location: https://edata.stfc.ac.uk/handle/edata/761
Name: Unraveling the H2 promotional effect on the Palladium catalysed CO oxidation using a combination of temporally and spatially resolved investigations Date: 2018-07-26 00:00:00 UTC Description: Data underpinning publication in Stewart et al 2018, 'Unraveling the H2 promotional effect on th... DOI: 10.17034/e97ee975-90e2-41f8-b28a-1ae1438dcb91 Location: https://pure.qub.ac.uk/portal/en/datasets/unraveling-the-h2-promotional-effect-on-the-palladium-catalysed-co-oxidation-using-a-combination-of-temporally-and-spatially-resolved-investigations(e97ee975-90e2-41f8-b28a-1ae1438dcb91).html Article: Unraveling the H2Promotional Effect on Palladium-Catalyzed CO Oxidation Using a Combination of Temporally and Spatially Resolved Investigations
Name: supporting-info Date: 2020-10-14 00:00:00 UTC Description: supporting-info DOI: Location: https://github.com/AlexanderHoffman/supporting-info Article: Insight into the effects of confined hydrocarbon species on the lifetime of methanol conversion catalysts
Name: Operando XAFS investigation on the effect of ash deposition on three-way catalyst used in Gasoline Particulate Filters and the effect of the manufacturing process on the catalytic activity.Supportinginformation Date: 2021-06-04 00:00:00 UTC Description: Operando XAFS investigation on the effect of ash deposition on three-way catalyst used in Gasoli... DOI: Location: https://stacks.iop.org/JPCM/33/284001/mmedia Article: Operando XAFS investigation on the effect of ash deposition on three-way catalyst used in gasoline particulate filters and the effect of the manufacturing process on the catalytic activity
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: Cyclohexanone monooxygenase Date: 2017-04-20 00:00:00 UTC Description: Cyclohexanone monooxygenase DOI: Location: http://www.uniprot.org/uniprot/Q84H73 Article: Biocatalytic Routes to Lactone Monomers for Polymer Production
Name: multiscale-simulations-identify-origins-of-differential-carbapenem-hydrolysis-by-the-oxa-48-b-lactamase.pdf Date: 2021-11-17 00:00:00 UTC Description: Related Article: Hirvonen, Viivi, Moshe Weizmann, Tal, Mulholland, Adrian, Spencer, James, van d... DOI: Location: https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/61941b2c78db4e814910ae72/original/multiscale-simulations-identify-origins-of-differential-carbapenem-hydrolysis-by-the-oxa-48-b-lactamase.pdf Article: Multiscale Simulations Identify Origins of Differential Carbapenem Hydrolysis by the OXA-48 β-Lactamase
Name: UK Catalysis Hub App (UKCHApp) Source Code Date: 2021-12-15 00:00:00 UTC Description: Source code for Designing a data infrastructure for catalysis science aligned to FAIRdata principles DOI: Location: https://github.com/UK-Catalysis-Hub/ukcathubapp Article: Designing a data infrastructure for catalysis science aligned to FAIR data principles
Name: XAS Workflow Demo: Source Code Date: 2022-02-02 00:00:00 UTC Description: Source Code for A Workflow Demonstrator for Processing Catalysis Research Data DOI: Location: https://github.com/UK-Catalysis-Hub/XAS-Workflow-Demo Article: A Workflow Demonstrator for Processing Catalysis Research Data