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
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Name: Optimising Terpene Synthesis with Flow Biocatalysis Date: 2017-01-01 00:00:00 UTC
Description: Sesquiterpenes are an important family of natural products that often exhibit important pharmace...
DOI: 10.17035/d.2016.0011675544
Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/11675544?auxfun=&lang=en_GB
Article: Optimising Terpene Synthesis with Flow Biocatalysis
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Name: PdZn catalysts for CO2 hydrogenation to methanol using chemical vapour impregnation (CVI) Date: 2017-01-01 00:00:00 UTC
Description: The formation of PdZn bimetallic alloys on ZnO, TiO2 and Al2O3 supports was investigated, togeth...
DOI: 10.17035/d.2016.0011312728
Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/11312728?auxfun=&lang=en_GB
Article: PdZn catalysts for CO2 hydrogenation to methanol using chemical vapour impregnation (CVI)
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Name: How bulk and surface properties of Ti4SiC3, V4SiC3, Nb4SiC3 and Zr4SiC3 tune reactivity: a computational study - data Date: 2021-01-01 00:00:00 UTC
Description: The bulk and surface properties of early transition metal silicon carbides as well as their acti...
DOI: 10.17035/d.2021.0128671491
Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/128671491?auxfun=&lang=en_GB
Article: How bulk and surface properties of Ti4SiC3, V4SiC3, Nb4SiC3 and Zr4SiC3 tune reactivity: a computational study
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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
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Name: THE SYNTHESIS OF GLYCEROL CARBONATE FROM GLYCEROL AND CARBON DIOXIDE OVER HETEROGENEOUS CATALYSTS Date: 2018-03-13 00:00:00 UTC
Description: Informed Consent Statement: Not applicable.Data Availability Statement: The data presented in th...
DOI:
Location: http://etheses.whiterose.ac.uk/19350/
Article: Improving Product Yield in the Direct Carboxylation of Glycerol with CO2 through the Tailored Selection of Dehydrating Agents
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Name: UK Catalysis Hub App (UKCHApp) Source Code Date: 2021-12-15 00:00:00 UTC
Description: Source code for Designing a data infrastructure for catalysis science aligned to FAIRdata principles
DOI:
Location: https://github.com/UK-Catalysis-Hub/ukcathubapp
Article: Designing a data infrastructure for catalysis science aligned to FAIR data principles
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Name: XAS Workflow Demo: Source Code Date: 2022-02-02 00:00:00 UTC
Description: Source Code for A Workflow Demonstrator for Processing Catalysis Research Data
DOI:
Location: https://github.com/UK-Catalysis-Hub/XAS-Workflow-Demo
Article: A Workflow Demonstrator for Processing Catalysis Research Data
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Name: QM/MM study of the stability of dimethyl ether in zeolites H-ZSM-5 and H-Y: data Date: 2020-01-01 00:00:00 UTC
Description: The dataset presented is associated with a computational investigation of how a crucial intermed...
DOI: 10.17035/d.2020.0122278013
Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/122278013
Article: QM/MM study of the stability of dimethyl ether in zeolites H-ZSM-5 and H-Y
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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
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