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Name: supporting-info Date: 2020-10-14 00:00:00 UTC Description: supporting-info DOI: Location: https://github.com/AlexanderHoffman/supporting-info Article: Insight into the effects of confined hydrocarbon species on the lifetime of methanol conversion catalysts
Name: supplementary video 1 Date: 2022-10-19 00:00:00 UTC Description: Video of the breaking procedure for the PSCs. See also Supplementary Figure 11 DOI: Location: https://static-content.springer.com/esm/art%3A10.1038%2Fs43246-022-00299-3/MediaObjects/43246_2022_299_MOESM4_ESM.mov Article: Spherical hydroxyapatite nanoparticle scaffolds for reduced lead release from damaged perovskite solar cells
Name: supplementary data for: Spherical hydroxyapatite nanoparticle scaffolds for reduced lead release from damaged perovskite solar cells Date: 2022-10-19 00:00:00 UTC Description: Supplementary data to article DOI: Location: https://static-content.springer.com/esm/art%3A10.1038%2Fs43246-022-00299-3/MediaObjects/43246_2022_299_MOESM3_ESM.pdf Article: Spherical hydroxyapatite nanoparticle scaffolds for reduced lead release from damaged perovskite solar cells
Name: pnas.1918936117.sapp.pdf Date: 2020-03-09 00:00:00 UTC Description: Supporting Information Appendix (PDF) DOI: Location: https://www.pnas.org/doi/suppl/10.1073/pnas.1918936117/suppl_file/pnas.1918936117.sapp.pdf Article: Visualizing the protons in a metalloenzyme electron proton transfer pathway
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
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
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
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
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
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