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Description: Impact of nanoparticle-support interactions in co3o4/al2o3 catalysts for the preferential oxidat...
DOI: 10.25375/uct.8332652
Location: https://zivahub.uct.ac.za/articles/Impact_of_nanoparticle-support_interactions_in_co3o4_al2o3_catalysts_for_the_preferential_oxidation_of_carbon_monoxide_Raw_data_for_Nyathi_et_al_ACS_Catal_2019_10_1021_acscatal_9b00685_/8332652
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Name: surfaces-02-00001-s001.pdf Date: 2019-01-03 00:00:00 UTC
Description: Supplementary data for Electrochemical Behavior of Pt–Ru Catalysts Supported on Graphitized Orde...
DOI:
Location: https://res.mdpi.com/d_attachment/surfaces/surfaces-02-00001/article_deploy/surfaces-02-00001-s001.pdf?version=1546517275
Article: Electrochemical Behavior of Pt–Ru Catalysts Supported on Graphitized Ordered Mesoporous Carbons toward CO and Methanol Oxidation
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Description: Circular economy emphasizes the idea of transforming products involving economic growth and impr...
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Article: Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors
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Name: Numerical data and further representations on descriptors correlation from Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors Date: 2020-01-01 00:00:00 UTC
Description: Circular economy emphasizes the idea of transforming products involving economic growth and impr...
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Article: Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors
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Name: Supplementary information final from Methanol photo-reforming with water on pure titania for hydrogen production Date: 2020-01-01 00:00:00 UTC
Description: Methanol photo-reforming with water on pure titania for hydrogen production
DOI: 10.6084/m9.figshare.12376925.v1
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Article: Methanol photo-reforming with water on pure titania for hydrogen production
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Name: Supplementary material from "Methanol photo-reforming with water on pure titania for hydrogen production" Date: 2020-01-01 00:00:00 UTC
Description: The behaviour of titania for the photo-reforming of methanol with water at ambient temperature h...
DOI: 10.6084/m9.figshare.c.4994573
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Article: Methanol photo-reforming with water on pure titania for hydrogen production
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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
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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
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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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