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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DOI:
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Description: Cation-doping strategies for tuning of zirconia acid–base properties
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Name: Supplementary Data for: The influence of phase purity on the stability of Pt/LaAlO3 catalysts in the aqueous phase reforming of glycerol Date: 2022-12-01 00:00:00 UTC
Description: Supplementary data to article
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Location: https://ars.els-cdn.com/content/image/1-s2.0-S2468519422004591-mmc1.docx
Article: The influence of phase purity on the stability of Pt/LaAlO3 catalysts in the aqueous phase reforming of glycerol
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Name: Electronic Supplementary Information (ESI): Modelling the kinetics of stearic acid destruction on TiO2 ‘self-cleaning’ photocatalytic films Date: 2022-10-25 00:00:00 UTC
Description: Supplementary data to article
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Location: https://ars.els-cdn.com/content/image/1-s2.0-S0926860X22004227-mmc1.docx
Article: Modelling the kinetics of stearic acid destruction on TiO2 ‘self-cleaning’ photocatalytic films
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Name: Electronic Supplementary Information (ESI): Photocatalytic destruction of stearic acid by TiO2 films: evidence of highly efficient transport of photogenerated electrons and holes Date: 2023-02-01 00:00:00 UTC
Description: Supplementary data to article
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Location: https://ars.els-cdn.com/content/image/1-s2.0-S1010603022004968-mmc1.docx
Article: Photocatalytic destruction of stearic acid by TiO2 films: Evidence of highly efficient transport of photogenerated electrons and holes
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