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189 data objects found

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Name: 41467_2021_26508_MOESM4_ESM.pdf Date: 2021-11-08 00:00:00 UTC Description: Related Article: Yang, Zongfan, Twidale, Rebecca M., Gervasoni, Silvia, Suardíaz, Reynier, Colen... DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/acs.jcim.1c01109/suppl_file/ci1c01109_si_001.pdf Article: Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins
Name: A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase Date: 2021-05-14 00:00:00 UTC Description: A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl React... DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/jacsau.1c00145/suppl_file/au1c00145_si_001.pdf Article: A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase
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: CIF Data Date: 2016-03-16 00:00:00 UTC Description: Additional synthetic/characterizing data, copies of NMR spectra for new compounds, and complete ... DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/jacs.6b00710/suppl_file/ja6b00710_si_002.cif Article: Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E–H Bonds by a Bis(boryl)stannylene
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: Data files for The Influence of Phase Purity on the Stability of Pt/LaAlO3 Catalysts in the Aqueous Phase Reforming of Glycerol Date: 2022-01-01 00:00:00 UTC Description: Data files for The Influence of Phase Purity on the Stability of Pt/LaAlO3 Catalysts in the Aque... DOI: 10.17028/rd.lboro.21610722.v1 Location: https://repository.lboro.ac.uk/articles/dataset/Data_files_for_The_Influence_of_Phase_Purity_on_the_Stability_of_Pt_LaAlO3_Catalysts_in_the_Aqueous_Phase_Reforming_of_Glycerol/21610722/1 Article: The influence of phase purity on the stability of Pt/LaAlO3 catalysts in the aqueous phase reforming of glycerol
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 'Combined in situ XAFS/DRIFTS studies of the evolution of nanoparticle structures from molecular precursors' Date: 2017-01-01 00:00:00 UTC Description: Data file for:\nDann, E. et al (2017). Combined in situ XAFS/DRIFTS studies of the evolution of ... DOI: 10.5258/SOTON/D0203 Location: https://eprints.soton.ac.uk/412957/ Article: Combined In Situ XAFS/DRIFTS Studies of the Evolution of Nanoparticle Structures from Molecular Precursors