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: 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: The application of QENS to investigate the methanol-to-gasoline reaction over ZSM-5 Date: 2016-10-04 00:00:00 UTC
Description: This proposal requests 6 days of OSIRIS time to conduct QENS measurements on commercial zeolite ...
DOI: 10.5286/ISIS.E.82353034
Location: https://data.isis.stfc.ac.uk/doi/INVESTIGATION/82353034
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Name: The application of INS to investigate the methanol-to-gasoline reaction over ZSM-5 Date: 2016-04-14 00:00:00 UTC
Description: As part of a UK Catalysis Hub initiative in Catalyst Design involving a team of academic and ind...
DOI: 10.5286/ISIS.E.79110599
Location: https://data.isis.stfc.ac.uk/doi/INVESTIGATION/79110599/
Article: Application of Inelastic Neutron Scattering to the Methanol-to-Gasoline Reaction Over a ZSM-5 Catalyst
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Name: The application of INS to investigate the methanol-to-gasoline reaction over ZSM-5 Date: 2016-09-16 00:00:00 UTC
Description: We propose to use MERLIN to measure INS from commercial zeolite catalyst samples extracted from ...
DOI: 10.5286/ISIS.E.82355314
Location: https://data.isis.stfc.ac.uk/doi/INVESTIGATION/82355314/
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Name: Table S6: Absolute errors, mean absolute errors and standard deviations of reaction energies (in kcal mol−1) of reaction 1–20. The absolute errors are given relative to the CCSD(T)/aug-cc-pVTZ results Date: 2020-05-20 00:00:00 UTC
Description: Related Article: Sirirak, Jitnapa, Lawan, Narin, Van der Kamp, Marc W., Harvey, Jeremy N., Mulho...
DOI: 10.7717/peerj-pchem.8/supp-7
Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-7
Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
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Name: Table S5: Mean signed errors, standard deviations, maximum errors and minimum errors along with their reaction number (Rxn No.) of reaction energies (in kcal mol<sup>−1</sup>) of reaction 1–20 Date: 2020-05-20 00:00:00 UTC
Description: Related Article: Sirirak, Jitnapa, Lawan, Narin, Van der Kamp, Marc W., Harvey, Jeremy N., Mulho...
DOI: 10.7717/peerj-pchem.8/supp-6
Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-6
Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
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Name: Table S4: Errors of reaction energies (in kcal mol−1) of reaction 1–20, relative to the CCSD(T)/aug-cc-pVTZ results Date: 2020-05-20 00:00:00 UTC
Description: Related Article: Sirirak, Jitnapa, Lawan, Narin, Van der Kamp, Marc W., Harvey, Jeremy N., Mulho...
DOI: 10.7717/peerj-pchem.8/supp-5
Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-5
Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
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Name: Table S4. Oligonucleotide sequences used in this study, related to the STAR Methods. Date: 2021-04-30 00:00:00 UTC
Description: Table S4. Oligonucleotide sequences used in this study, related to the STAR Methods.
DOI:
Location: https://ars.els-cdn.com/content/image/1-s2.0-S0092867421004360-mmc4.xlsx
Article: LanCLs add glutathione to dehydroamino acids generated at phosphorylated sites in the proteome
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Name: Table S3: Reaction energies (in kcal mol−1) of reaction 1–20 calculated by 24 quantum mechanics methods Date: 2020-05-20 00:00:00 UTC
Description: Related Article: Sirirak, Jitnapa, Lawan, Narin, Van der Kamp, Marc W., Harvey, Jeremy N., Mulho...
DOI: 10.7717/peerj-pchem.8/supp-4
Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-4
Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
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