Name: Cyclohexanone monooxygenase Date: 2017-04-20 00:00:00 UTC
Description: Cyclohexanone monooxygenase
DOI:
Location: http://www.uniprot.org/uniprot/Q84H73
Article: Biocatalytic Routes to Lactone Monomers for Polymer Production
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Name: DLSR: a solution to the parallax artefact in X-ray diffraction computed tomography data Date: 2020-01-01 00:00:00 UTC
Description: DLSR: a solution to the parallax artefact in X-ray diffraction computed tomography data
DOI: 10.3204/pubdb-2020-04540
Location: https://bib-pubdb1.desy.de/record/452175
Article: DLSR: a solution to the parallax artefact in X-ray diffraction computed tomography data
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Name: Dataset for 'PrFeO3 photocathodes prepared through spray pyrolysis' Date: 2020-02-10 00:00:00 UTC
Description: PrFeO3 (PFO) has been shown to be an active photochemical water reduction in slurry reactors, bu...
DOI: 10.15125/bath-00708
Location: https://researchdata.bath.ac.uk/708/
Article: PrFeO 3 Photocathodes Prepared Through Spray Pyrolysis
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Name: LanCL Date: 2021-05-12 00:00:00 UTC
Description: Mass spectrometry and Western blot data supporting the function of LanCL proteins published in C...
DOI: 10.17632/sgjzwcxgsr.1
Location: https://data.mendeley.com/datasets/sgjzwcxgsr/1
Article: LanCLs add glutathione to dehydroamino acids generated at phosphorylated sites in the proteome
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Name: Silicon Redistribution, Acid Site Loss and the Formation of a Core-Shell Texture upon Steaming SAPO-34 and their Impact on Catalytic Performance in the MTO Reaction (dataset) Date: 2020-01-01 00:00:00 UTC
Description: Silicon Redistribution, Acid Site Loss and the Formation of a Core-Shell Texture upon Steaming S...
DOI: 10.17630/09ddc03e-f121-4e79-9b55-674f64d9c8c4
Location: https://risweb.st-andrews.ac.uk/portal/en/datasets/silicon-redistribution-acid-site-loss-and-the-formation-of-a-coreshell-texture-upon-steaming-sapo34-and-their-impact-on-catalytic-performance-in-the-mto-reaction-dataset(09ddc03e-f121-4e79-9b55-674f64d9c8c4).html
Article: Silicon redistribution, acid site loss and the formation of a core–shell texture upon steaming SAPO-34 and their impact on catalytic performance in the Methanol-to-Olefins (MTO) reaction
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Name: Supplemental Information 1: Molecular xyz coordinates 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-1
Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-1
Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
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Name: Table S1: Coordinates of 29 molecules optimized at the B3LYP/6-311+G(d) level 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-2
Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-2
Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
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Name: Table S2: Molecular energies of molecular No.1 (M1) to molecular No.29 (M29) (in kcal mol−1) calculated by 24 QM methods using the structure optimized at the B3LYP/6-311+G(d) level as starting structures 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-3
Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-3
Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
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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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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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