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
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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: 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
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Name: CCDC 2108180: Experimental Crystal Structure Determination Date: 2022-01-01 00:00:00 UTC
Description: CCDC 2108180: Experimental Crystal Structure Determination
DOI: 10.5517/ccdc.csd.cc28rqtl
Location: https://dx.doi.org/10.5517/ccdc.csd.cc28rqtl
Article: Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation
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Name: CCDC 2108181: Experimental Crystal Structure Determination Date: 2022-01-01 00:00:00 UTC
Description: CCDC 2108181: Experimental Crystal Structure Determination
DOI: 10.5517/ccdc.csd.cc28rqvm
Location: https://dx.doi.org/10.5517/ccdc.csd.cc28rqvm
Article: Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation
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Name: CCDC 2115885: Experimental Crystal Structure Determination Date: 2022-01-01 00:00:00 UTC
Description: CCDC 2115885: Experimental Crystal Structure Determination
DOI: 10.5517/ccdc.csd.cc290rcg
Location: https://dx.doi.org/10.5517/ccdc.csd.cc290rcg
Article: Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation
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Name: CCDC 2201115: Experimental Crystal Structure Determination Date: 2022-01-01 00:00:00 UTC
Description: CCDC 2201115: Experimental Crystal Structure Determination
DOI: 10.5517/ccdc.csd.cc2cwfqf
Location: https://dx.doi.org/10.5517/ccdc.csd.cc2cwfqf
Article: Boronic ester functionalised 1,8-diboryl-naphthalene scaffolds: fluoride <i>versus</i> oxide chelation
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Name: CCDC 2201116: Experimental Crystal Structure Determination Date: 2022-01-01 00:00:00 UTC
Description: CCDC 2201116: Experimental Crystal Structure Determination
DOI: 10.5517/ccdc.csd.cc2cwfrg
Location: https://dx.doi.org/10.5517/ccdc.csd.cc2cwfrg
Article: Boronic ester functionalised 1,8-diboryl-naphthalene scaffolds: fluoride <i>versus</i> oxide chelation
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Name: CCDC 2201117: Experimental Crystal Structure Determination Date: 2022-01-01 00:00:00 UTC
Description: CCDC 2201117: Experimental Crystal Structure Determination
DOI: 10.5517/ccdc.csd.cc2cwfsh
Location: https://dx.doi.org/10.5517/ccdc.csd.cc2cwfsh
Article: Boronic ester functionalised 1,8-diboryl-naphthalene scaffolds: fluoride <i>versus</i> oxide chelation
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Name: CCDC 2201118: Experimental Crystal Structure Determination Date: 2022-01-01 00:00:00 UTC
Description: CCDC 2201118: Experimental Crystal Structure Determination
DOI: 10.5517/ccdc.csd.cc2cwftj
Location: https://dx.doi.org/10.5517/ccdc.csd.cc2cwftj
Article: Boronic ester functionalised 1,8-diboryl-naphthalene scaffolds: fluoride <i>versus</i> oxide chelation
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