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Description: Supplementary data for Towards microfluidic reactors for in situ synchrotron infrared studies
DOI:
Location: https://aip.scitation.org/doi/suppl/10.1063/1.4941825/suppl_file/fringeremoval.xls
Article: Towards microfluidic reactors for in situ synchrotron infrared studies
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Name: Supplementary material from "Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors" Date: 2020-07-06 00:00:00 UTC
Description: Circular economy emphasizes the idea of transforming products involving economic growth and impr...
DOI: 10.6084/m9.figshare.c.5007785.v1
Location: https://rs.figshare.com/collections/Supplementary_material_from_Biomass_hydrodeoxygenation_catalysts_innovation_from_atomistic_activity_predictors_/5007785
Article: Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors
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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
Location: https://rs.figshare.com/articles/Supplementary_information_final_from_Methanol_photo-reforming_with_water_on_pure_titania_for_hydrogen_production/12376925/1
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
Location: https://rs.figshare.com/collections/Supplementary_material_from_Methanol_photo-reforming_with_water_on_pure_titania_for_hydrogen_production_/4994573
Article: Methanol photo-reforming with water on pure titania for hydrogen production
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Name: rsta20200058supp1.docx Date: 2020-07-06 00:00:00 UTC
Description: Supplementary data for Methanol photo-reforming with water on pure titania for hydrogen production
DOI:
Location: https://royalsocietypublishing.org/action/downloadSupplement?doi=10.1098%2Frsta.2020.0058&file=rsta20200058supp1.docx
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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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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