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86 data objects found

Data objects
Name: 1400035 Date: 2016-04-01 00:00:00 UTC Description: DOI: 10.5286/ISIS.E.55381096 Location: https://data.isis.stfc.ac.uk/doi/INVESTIGATION/55381096/ Article: The reaction of formic acid with Raney TM copper
Name: 1520464 Date: 2018-01-01 00:00:00 UTC Description: DOI: 10.5286/ISIS.E.63530347 Location: https://data.isis.stfc.ac.uk/doi/INVESTIGATION/63530347/ Article: Comparing ammonia diffusion in NH3-SCR zeolite catalysts: a quasielastic neutron scattering and molecular dynamics simulation study
Name: A Multiscale Workflow for Modelling Ligand Complexes of Zinc Metalloproteins Date: 2021-11-03 00:00:00 UTC Description: Representative MD trajectories, topologies and input files for the protein:ligand complexes pres... DOI: 10.5523/bris.10p78zgsappbz226bzrdagabq9 Location: https://data.bris.ac.uk/data/dataset/10p78zgsappbz226bzrdagabq9 Article: Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins
Name: Additional data supporting the publication of: Small bite-angle phosphinophosphinine ligands enable rhodium catalysed hydroboration of carbonyls Date: 2018-01-01 00:00:00 UTC Description: Two zip files containing NMR spectroscopy and mass spectrometry data. DOI: 10.17861/14C23FE6-BC65-4806-BA5E-63642A6AD3E9 Location: https://pureapps2.hw.ac.uk/portal/en/datasets/additional-data-supporting-the-publication-of-small-biteangle-phosphinophosphinine-ligands-enable-rhodium-catalysed-hydroboration-of-carbonyls(14c23fe6-bc65-4806-ba5e-63642a6ad3e9).html Article: Small bite-angle 2-phosphinophosphinine ligands enable rhodium-catalysed hydroboration of carbonyls
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: Carbene-like Reactivity of Methoxy Groups in a Single Crystal SAPO 34 MTO Catalyst (dataset) Date: 2022-03-04 00:00:00 UTC Description: Data availabilityThe research data supporting this publication can be accessed athttps://doi.org... DOI: 10.17630/42adc9c0-c790-4b52-9ba9-846cfdfe4da9 Location: https://risweb.st-andrews.ac.uk/portal/en/datasets/carbenelike-reactivity-of-methoxy-groups-in-a-single-crystal-sapo-34-mto-catalyst-dataset(42adc9c0-c790-4b52-9ba9-846cfdfe4da9).html Article: Carbene-like reactivity of methoxy groups in a single crystal SAPO-34 MTO catalyst
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: Computational data for "Artificial Metalloenzymes as Catalysts for Oxidative Lignin Degradation" Date: 2018-10-10 00:00:00 UTC Description: Data and metadata for the MD simulations included in the paper\nM. V. Doble, A. G. Jarvis, A. C.... DOI: 10.17630/259AFFA7-75AE-495F-8D2A-7D9742D3EF13 Location: https://risweb.st-andrews.ac.uk:443/portal/en/datasets/computational-data-for-artificial-metalloenzymes-as-catalysts-for-oxidative-lignin-degradation(259affa7-75ae-495f-8d2a-7d9742d3ef13).html Article: Artificial Metalloenzymes as Catalysts for Oxidative Lignin Degradation
Name: Cycling Rate-Induced Spatially-Resolved Heterogeneities in Commercial Cylindrical Li-Ion Batteries: Datasets Date: 2021-09-16 00:00:00 UTC Description: Sinogram XRD-CT data used in the manuscript entitled "Cycling Rate-Induced Spatially-Resolved He... DOI: 10.5281/ZENODO.5172980 Location: https://zenodo.org/record/5172980 Article: Cycling Rate‐Induced Spatially‐Resolved Heterogeneities in Commercial Cylindrical Li‐Ion Batteries
Name: DLSR datasets Date: 2020-11-20 00:00:00 UTC Description: Simulated and experimental xrd-ct datasets used for the Topas implementation of the DLSR algorithm DOI: 10.5281/ZENODO.4059828 Location: https://zenodo.org/record/4059828 Article: DLSR: a solution to the parallax artefact in X-ray diffraction computed tomography data