Search:

sort by: Name

• Name, descending

reset

19 data objects found

Data objects
Name: Athavan_AppliedPhysicsLetters2024 Copies of coordinate files (in xyz format) for the calculated structure Date: 2024-04-01 00:00:00 UTC Description: Copies of coordinate files (in xyz format) for the calculated structure DOI: 10.5523/bris.mz85vyusop082j481j2ddl1rf Location: https://data.bris.ac.uk/data/dataset/mz85vyusop082j481j2ddl1rf Article: A re-examination of claims of aminoferrocene–graphene-based molecular magnets
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: 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: 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: 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: Electrocatalytic Site Activity Enhancement via Orbital Overlap in A2MnRuO7 (A = Dy3+, Ho3+, Er3+) Pyrochlore Nanostructures Date: 2021-01-07 00:00:00 UTC Description: This data folder corresponds to the study of the electrochemical behavior of A2MnRuO7 (A = Dy, H... DOI: Location: https://data.bris.ac.uk/datasets/2ziu8eflfw7zv25mc8j4h80jfl/2ziu8eflfw7zv25mc8j4h80jfl.zip Article: Electrocatalytic Site Activity Enhancement via Orbital Overlap in A2MnRuO7 (A = Dy3+, Ho3+, and Er3+) Pyrochlore Nanostructures
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: Elementary Steps in the Formation of Hydrocarbons from Surface Methoxy Groups in HZSM-5 seen by ... 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: 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: 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