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20 data objects found

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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: Supplementary material from "Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors" Date: 2020-07-06 00:00:00 UTC Description: Circular economy emphasizes the idea of transforming products involving economic growth and impr... DOI: 10.6084/M9.FIGSHARE.C.5007785.V1 Location: https://rs.figshare.com/collections/Supplementary_material_from_Biomass_hydrodeoxygenation_catalysts_innovation_from_atomistic_activity_predictors_/5007785 Article: Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors
Name: Elementary Steps in the Formation of Hydrocarbons from Surface Methoxy Groups in HZSM-5 seen by Synchrotron Infrared Microspectroscopy (dataset) Date: 2019-01-01 00:00:00 UTC Description: DOI: 10.17630/D0E5A924-8850-4FE4-A56F-B00C7472F25A Location: https://risweb.st-andrews.ac.uk/portal/en/datasets/elementary-steps-in-the-formation-of-hydrocarbons-from-surface-methoxy-groups-in-hzsm5-seen-by-synchrotron-infrared-microspectroscopy-dataset(d0e5a924-8850-4fe4-a56f-b00c7472f25a).html Article: Elementary Steps in the Formation of Hydrocarbons from Surface Methoxy Groups in HZSM-5 Seen by Synchrotron Infrared Microspectroscopy
Name: Enzyme Activity by Design: An Artificial Rhodium Hydroformylase for Linear Aldehyes Date: 2017-01-01 00:00:00 UTC Description: Data files relating to the paper ' Enzyme Activity by Design: An Artificial Rhodium Hydroformyla... DOI: 10.17630/03FA38F2-B858-4FFF-A478-83E61672955C Location: https://risweb.st-andrews.ac.uk:443/portal/en/datasets/enzyme-activity-by-design-an-artificial-rhodium-hydroformylase-for-linear-aldehyes(03fa38f2-b858-4fff-a478-83e61672955c).html Article: Enzyme Activity by Design: An Artificial Rhodium Hydroformylase for Linear Aldehydes
Name: Mechanism of the Catalytic Carboxylation of Alkylboronates with CO2 using Ni-NHC complexes: A DFT Study (dataset) Date: 2017-01-01 00:00:00 UTC Description: Computational data and metadata underpinning publication in scientific journal DOI: 10.17630/383E38EC-A571-49CA-8A54-9EBF020E4513 Location: https://risweb.st-andrews.ac.uk:443/portal/en/datasets/mechanism-of-the-catalytic-carboxylation-of-alkylboronates-with-co2-using-ninhc-complexes-a-dft-study-dataset(383e38ec-a571-49ca-8a54-9ebf020e4513).html Article: Mechanism of the Catalytic Carboxylation of Alkylboronates with CO2 Using Ni−NHC Complexes: A DFT Study
Name: Effects of Crystal Size on Methanol to Hydrocarbon Conversion over Single Crystals of ZSM-5 Studied by Synchrotron Infrared Microspectroscopy (dataset) Date: 2020-01-01 00:00:00 UTC Description: The following file types and formats are included: - Sample characterisation files (X-ray diffra... DOI: 10.17630/306BD3C3-014B-466F-9538-B107628C847D Location: https://risweb.st-andrews.ac.uk/portal/en/datasets/effects-of-crystal-size-on-methanol-to-hydrocarbon-conversion-over-single-crystals-of-zsm5-studied-by-synchrotron-infrared-microspectroscopy-dataset(306bd3c3-014b-466f-9538-b107628c847d).html Article: Effects of crystal size on methanol to hydrocarbon conversion over single crystals of ZSM-5 studied by synchrotron infrared microspectroscopy
Name: Numerical data and further representations on descriptors correlation from Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors Date: 2020-01-01 00:00:00 UTC Description: Circular economy emphasizes the idea of transforming products involving economic growth and impr... DOI: 10.6084/M9.FIGSHARE.12429290 Location: https://rs.figshare.com/articles/Numerical_data_and_further_representations_on_descriptors_correlation_from_Biomass_hydrodeoxygenation_catalysts_innovation_from_atomistic_activity_predictors/12429290 Article: Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors
Name: Supplementary information final from Methanol photo-reforming with water on pure titania for hydrogen production Date: 2020-01-01 00:00:00 UTC Description: Methanol photo-reforming with water on pure titania for hydrogen production DOI: 10.6084/M9.FIGSHARE.12376925.V1 Location: https://rs.figshare.com/articles/Supplementary_information_final_from_Methanol_photo-reforming_with_water_on_pure_titania_for_hydrogen_production/12376925/1 Article: Methanol photo-reforming with water on pure titania for hydrogen production
Name: Supplementary material from "Methanol photo-reforming with water on pure titania for hydrogen production" Date: 2020-01-01 00:00:00 UTC Description: The behaviour of titania for the photo-reforming of methanol with water at ambient temperature h... DOI: 10.6084/M9.FIGSHARE.C.4994573 Location: https://rs.figshare.com/collections/Supplementary_material_from_Methanol_photo-reforming_with_water_on_pure_titania_for_hydrogen_production_/4994573 Article: Methanol photo-reforming with water on pure titania for hydrogen production
Name: Supplemental Information 1: Molecular xyz coordinates Date: 2020-05-20 00:00:00 UTC Description: Related Article: Sirirak, Jitnapa, Lawan, Narin, Van der Kamp, Marc W., Harvey, Jeremy N., Mulho... DOI: 10.7717/peerj-pchem.8/supp-1 Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-1 Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes