Name: Iron Negishi mechanistic NatCat 2018 Date: 2018-12-31 00:00:00 UTC
Description: Data supporting Nature Catalysis paper
DOI: 10.5523/bris.1kp2f62x3klb02mfz2qymcmxmx
Location: https://data.bris.ac.uk/data/dataset/1kp2f62x3klb02mfz2qymcmxmx/
Article: The highly surprising behaviour of diphosphine ligands in iron-catalysed Negishi cross-coupling
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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
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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
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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
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Name: Evolution of dynamical networks enhances catalysis in a designer enzyme Date: 2021-06-23 00:00:00 UTC
Description: Data related to: "Evolution of dynamical networks enhances catalysis in a designer enzyme". H. A...
DOI: 10.5523/bris.l6hm9j11yil92bh9rvh27i7ge
Location: https://data.bris.ac.uk/data/dataset/l6hm9j11yil92bh9rvh27i7ge
Article: Evolution of dynamical networks enhances catalysis in a designer enzyme
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Name: Materials Data on YAlO3 by Materials Project Date: 2020-07-16 00:00:00 UTC
Description: YAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space grou...
DOI: 10.17188/1207439
Location: https://materialsproject.org/materials/mp-3792/
Article: PrFeO 3 Photocathodes Prepared Through Spray Pyrolysis
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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
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Name: Dataset Underpinning the Southampton Doctoral Thesis "Investigating Nanoscale Catalysts from Primary Growth to Catalytic Activity" Date: 2022-01-01 00:00:00 UTC
Description: Dataset Underpinning the Southampton Doctoral Thesis "Investigating Nanoscale Catalysts from Pri...
DOI: 10.5258/soton/d2092
Location: https://eprints.soton.ac.uk/467645/
Article: Extracting structural information of Au colloids at ultra-dilute concentrations: identification of growth during nanoparticle immobilization
Article: Controlling the Production of Acid Catalyzed Products of Furfural Hydrogenation by Pd/TiO 2
Article: Investigating nanoscale catalysts from primary growth to catalytic activity
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Name: XAFS data @ Pt and Sn edges for samples in Structure-Activity Relationships in Highly Active Platinum-Tin MFI-type Zeolite Catalysts for Propane Dehydrogenation Date: 2022-01-01 00:00:00 UTC
Description: XAFS data @ Pt and Sn edges for samples in Structure-Activity Relationships in Highly Active Pla...
DOI: 10.5522/04/19063886
Location: https://rdr.ucl.ac.uk/articles/dataset/XAFS_data_Pt_and_Sn_edges_for_samples_in_Structure-Activity_Relationships_in_Highly_Active_Platinum-Tin_MFI-type_Zeolite_Catalysts_for_Propane_Dehydrogenation/19063886
Article: Structure‐Activity Relationships in Highly Active Platinum‐Tin MFI‐type Zeolite Catalysts for Propane Dehydrogenation
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Name: Free energy for drug-protein binding from human-guided atomistic simulations in virtual reality - Supplementary Files Date: 2022-06-18 00:00:00 UTC
Description: iMD-VR trajectories, narupa inputs, system parameters, and umbrella sampling data. Information a...
DOI: 10.5281/zenodo.6659616.svg
Location: https://zenodo.org/records/6659616
Article: Free energy along drug-protein binding pathways interactively sampled in virtual reality
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