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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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 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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Description: Data availabilityThe research data supporting this publication can be accessed athttps://doi.org...
DOI: 10.17630/42adc9c0-c790-4b52-9ba9-846cfdfe4da9
Location: https://risweb.st-andrews.ac.uk/portal/en/datasets/carbenelike-reactivity-of-methoxy-groups-in-a-single-crystal-sapo-34-mto-catalyst-dataset(42adc9c0-c790-4b52-9ba9-846cfdfe4da9).html
Article: Carbene-like reactivity of methoxy groups in a single crystal SAPO-34 MTO catalyst
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Name: Electronic Supplementary Information ESI: 3D printed, plastic photocatalytic flow reactors for water purification Date: 2022-05-24 00:00:00 UTC
Description: Supplementary data to article
DOI:
Location: https://static-content.springer.com/esm/art%3A10.1007%2Fs43630-022-00242-y/MediaObjects/43630_2022_242_MOESM1_ESM.docx
Article: 3D printed, plastic photocatalytic flow reactors for water purification
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Name: SUPPORTING INFORMATION Blurring the Boundary between Homogenous and Heterogeneous Catalysis using Palladium Nanoclusters with Dynamic Surfaces Date: 2021-08-17 00:00:00 UTC
Description: Supplementary data to article
DOI:
Location: https://static-content.springer.com/esm/art%3A10.1038%2Fs41467-021-25263-6/MediaObjects/41467_2021_25263_MOESM1_ESM.pdf
Article: Blurring the boundary between homogenous and heterogeneous catalysis using palladium nanoclusters with dynamic surfaces
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Name: Description of Additional Supplementary Files Date: 2022-10-19 00:00:00 UTC
Description: Description of Additional Supplementary Files
DOI:
Location: https://static-content.springer.com/esm/art%3A10.1038%2Fs43246-022-00299-3/MediaObjects/43246_2022_299_MOESM1_ESM.pdf
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Description: Photovoltaic Checklist
DOI:
Location: https://static-content.springer.com/esm/art%3A10.1038%2Fs43246-022-00299-3/MediaObjects/43246_2022_299_MOESM2_ESM.pdf
Article: Spherical hydroxyapatite nanoparticle scaffolds for reduced lead release from damaged perovskite solar cells
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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
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