Name: CCDC 2204127: Experimental Crystal Structure Determination Date: 2022-08-27 00:00:00 UTC
Description: Yujie Ma, Xue Han⊗, Shaojun Xu, Zhe Li, Wanpeng Lu, Bing An, Daniel Lee, Sarayute Chansai, Ale...
DOI: 10.5517/ccdc.csd.cc2czkwt
Location: https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=2204127
Article: Direct Conversion of Methane to Ethylene and Acetylene over an Iron-Based Metal–Organic Framework
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Name: CCDC 2204128: Experimental Crystal Structure Determination Date: 2022-08-27 00:00:00 UTC
Description: Yujie Ma, Xue Han⊗, Shaojun Xu, Zhe Li, Wanpeng Lu, Bing An, Daniel Lee, Sarayute Chansai, Ale...
DOI: 10.5517/ccdc.csd.cc2czkxv
Location: https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=2204128
Article: Direct Conversion of Methane to Ethylene and Acetylene over an Iron-Based Metal–Organic Framework
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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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Name: CCDC 2094910: Experimental Crystal Structure Determination Date: 2021-07-07 00:00:00 UTC
Description: Electronic supplementary information (ESI) available: Detailed experimentalsections, supplementa...
DOI: 10.5517/ccdc.csd.cc289xr8
Location: https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=2094910
Article: Enhancing the performance for palladium catalysed <i>tert</i>-butyl hydroperoxide-mediated Wacker-type oxidation of alkenes
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Name: Reductive site-selective atypical C,Z-type / N2–C2 cleavage allows C-terminal protein amidation Date: 2022-04-12 00:00:00 UTC
Description: Raw data used in the publication "Reductive site-selective atypical C,Z-type / N2–C2 cleavage ...
DOI: 10.5281/zenodo.5736482.svg
Location: https://zenodo.org/records/5736482
Article: Reductive site-selective atypical <i>C</i> , <i>Z</i> -type/N2-C2 cleavage allows C-terminal protein amidation
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Name: Investigation of diffusion of branched alkanes in ZSM5 Date: 2016-03-13 00:00:00 UTC
Description: The diffusion coefficients of monobranched and dibranched (methyl)hexane and octane in industria...
DOI: 10.5286/isis.e.24090121
Location: https://data.isis.stfc.ac.uk/doi/INVESTIGATION/24090121/
Article: Octane isomer dynamics in H-ZSM-5 as a function of Si/Al ratio: a quasi-elastic neutron scattering study
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Name: Investigating the effect of framework structure and Si/Al ratio on the diffusion of branched alkanes in zeolite Y and ZSM-5 Date: 2016-10-14 00:00:00 UTC
Description: The diffusion coefficients of monobranched and dibranched (methyl)hexane and octane in industria...
DOI: 10.5286/isis.e.42588597
Location: https://data.isis.stfc.ac.uk/doi/INVESTIGATION/42588597/
Article: Octane isomer dynamics in H-ZSM-5 as a function of Si/Al ratio: a quasi-elastic neutron scattering study
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Name: Investigation of methanol mobility in zeolite H-ZSM-5 pores as a function of acid site density Date: 2023-03-06 00:00:00 UTC
Description: Zeolites are porous aluminosilicate minerals widely used as adsorbents or catalysts in a myriad ...
DOI: 10.5286/isis.e.rb1920441
Location: https://data.isis.stfc.ac.uk/doi/STUDY/108681458/
Article: Methanol diffusion and dynamics in zeolite H-ZSM-5 probed by quasi-elastic neutron scattering and classical molecular dynamics simulations
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Name: Studies of propene formation by gasoline cracking in steamed ZSM-5 by QENS Date: 2016-11-01 00:00:00 UTC
Description: Fluidised Catalytic Cracking (FCC) units (shown below) are one of the major conversion units in ...
DOI: 10.5286/isis.e.rb1620443
Location: https://data.isis.stfc.ac.uk/doi/STUDY/103205658/
Article: The application of neutron scattering to investigate hydrocarbon conversion over zeolite catalysts.
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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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