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23 data objects found

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Name: Biomass HDO Catalysts Innovation from Atomistic Activity Predictors – data Date: 2020-04-01 00:00:00 UTC Description: This dataset was produced un course of a density functional theory (DFT) study exploring the rel... DOI: 10.17035/D.2020.0104938086 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/104938086?auxfun=&lang=en_GB Article: Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors
Name: Combination of Cu/ZnO methanol synthesis catalysts and ZSM-5 zeolites to produce oxygenates from CO2 and H2 - data Date: 2021-05-16 00:00:00 UTC Description: Cu/ZnO methanol catalysts were deposited over several ZSM-5 acid zeolites (Si/Al = 30, 50 and 80... DOI: 10.17035/D.2021.0129557921 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/129557921?auxfun=&lang=en_GB Article: Combination of Cu/ZnO Methanol Synthesis Catalysts and ZSM-5 Zeolites to Produce Oxygenates from CO2 and H2
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: Data for 'Light-Driven, Posttranslation Installation of Reactive Protein Side Chains' Date: 2020-09-23 00:00:00 UTC Description: C–C side chain alteration within intact proteins has the potential to allow native, chemical, po... DOI: 10.5287/BODLEIAN:9EWJQ268Q Location: https://ora.ox.ac.uk/objects/uuid:2a618e7e-551b-4360-a2de-237453d49a31 Article: Light-driven post-translational installation of reactive protein side chains
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: GT-Predict Date: 2018-11-12 00:00:00 UTC Description: We utilized informatics and machine learning to build predictive software for enzyme functional ... DOI: 10.5287/BODLEIAN:ZG5195KAE Location: https://ora.ox.ac.uk/objects/uuid:1b174bc0-4058-4057-8db4-59872c2b6d99 Article: Functional and informatics analysis enables glycosyltransferase activity prediction
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: Isolated PdO sites on SiO2-supported NiO nanoparticles as active sites for allylic alcohol selective oxidation Date: 2023-06-07 00:00:00 UTC Description: Raw data sets that under pin the publication Isolated PdO sites on SiO2-supported NiO nanoparti... DOI: 10.48420/c.6647102.v1 Location: https://figshare.manchester.ac.uk/collections/Isolated_PdO_sites_on_SiO2-supported_NiO_nanoparticles_as_active_sites_for_allylic_alcohol_selective_oxidation/6647102 Article: Isolated PdO sites on SiO<sub>2</sub>-supported NiO nanoparticles as active sites for allylic alcohol selective oxidation