Name: nb5289sup1.pdf Date: 2020-11-20 00:00:00 UTC
Description: Supplementary data for DLSR: a solution to the parallax artefact in X-ray diffraction computed t...
DOI:
Location: https://journals.iucr.org/j/issues/2020/06/00/nb5289/nb5289sup1.pdf
Article: DLSR: a solution to the parallax artefact in X-ray diffraction computed tomography data
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Name: aic16687-sup-0001-FigureS1.doc Date: 2019-06-26 00:00:00 UTC
Description: Supplementary data for Optimizing catalyst pore network structure in the presence of deactivatio...
DOI:
Location: https://aiche.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Faic.16687&file=aic16687-sup-0001-FigureS1.doc&cookieSet=1
Article: Optimizing catalyst pore network structure in the presence of deactivation by coking
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Name: aic16410-sup-0001-appendixS1.doc Date: 2019-01-15 00:00:00 UTC
Description: Supplementary Information Pore Network Modeling of Catalyst Deactivation by Coking, from Single ...
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Location: https://aiche.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Faic.16410&file=aic16410-sup-0001-appendixS1.doc
Article: Pore network modeling of catalyst deactivation by coking, from single site to particle, during propane dehydrogenation
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Name: aic15415-sup-0001-suppinfo01.doc Date: 2016-07-27 00:00:00 UTC
Description: Supplementary data for Influence of catalyst pore network structure on the hysteresis of multiph...
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Location: https://aiche.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Faic.15415&file=aic15415-sup-0001-suppinfo01.doc&cookieSet=1
Article: Influence of catalyst pore network structure on the hysteresis of multiphase reactions
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Name: aic15095-sup-0001-suppinfo01.doc Date: 2015-12-28 00:00:00 UTC
Description: Supplementary data for Probing pore blocking effects on multiphase reactions within porous catal...
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Location: https://aiche.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Faic.15095&file=aic15095-sup-0001-suppinfo01.doc&cookieSet=1
Article: Probing pore blocking effects on multiphase reactions within porous catalyst particles using a discrete model
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Name: XAFS data @ Pt and Sn edges for samples in Structure-Activity Relationships in Highly Active Platinum-Tin MFI-type Zeolite Catalysts for Propane Dehydrogenation Date: 2022-01-01 00:00:00 UTC
Description: XAFS data @ Pt and Sn edges for samples in Structure-Activity Relationships in Highly Active Pla...
DOI: 10.5522/04/19063886
Location: https://rdr.ucl.ac.uk/articles/dataset/XAFS_data_Pt_and_Sn_edges_for_samples_in_Structure-Activity_Relationships_in_Highly_Active_Platinum-Tin_MFI-type_Zeolite_Catalysts_for_Propane_Dehydrogenation/19063886
Article: Structure‐Activity Relationships in Highly Active Platinum‐Tin MFI‐type Zeolite Catalysts for Propane Dehydrogenation
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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 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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