Name: Photocatalytic hydrogen production by reforming of methanol using Au/TiO<sub>2</sub>, Ag/TiO<sub>2</sub> and Au-Ag/TiO<sub>2</sub> catalysts Date: 2017-01-01 00:00:00 UTC
Description: We have investigated polyvinylalcohol stabilized Au and Ag based nanoparticles supported on tita...
DOI: 10.6084/m9.figshare.4641160
Location: https://tandf.figshare.com/articles/journal_contribution/Photocatalytic_hydrogen_production_by_reforming_of_methanol_using_Au_TiO_sub_2_sub_Ag_TiO_sub_2_sub_and_Au-Ag_TiO_sub_2_sub_catalysts/4641160
Article: Photocatalytic hydrogen production by reforming of methanol using Au/TiO2, Ag/TiO2and Au-Ag/TiO2catalysts
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Name: Development and characterization of thermally stable supported V–W–TiO<sub>2</sub> catalysts for mobile NH<sub>3</sub>–SCR applications Date: 2017-01-01 00:00:00 UTC
Description: Vanadium based catalysts supported on a mixture of tungsten and titanium oxide (V<sub>2</sub>O<s...
DOI: 10.6084/m9.figshare.4641169.v1
Location: https://tandf.figshare.com/articles/journal_contribution/Development_and_characterization_of_thermally_stable_supported_V_W_TiO_sub_2_sub_catalysts_for_mobile_NH_sub_3_sub_SCR_applications/4641169/1
Article: Development and characterization of thermally stable supported V–W–TiO2 catalysts for mobile NH3–SCR applications
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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
Description: Related Article: Sirirak, Jitnapa, Lawan, Narin, Van der Kamp, Marc W., Harvey, Jeremy N., Mulho...
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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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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Name: Isolated PdO sites on SiO2-supported NiO nanoparticles as active sites for allylic alcohol selective oxidation Date: 2023-06-07 00:00:00 UTC
Description: Raw data sets that under pin the publication Isolated PdO sites on SiO2-supported NiO nanoparti...
DOI: 10.48420/c.6647102.v1
Location: https://figshare.manchester.ac.uk/collections/Isolated_PdO_sites_on_SiO2-supported_NiO_nanoparticles_as_active_sites_for_allylic_alcohol_selective_oxidation/6647102
Article: Isolated PdO sites on SiO<sub>2</sub>-supported NiO nanoparticles as active sites for allylic alcohol selective oxidation
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Name: Parlett, Christopher (2024). N2 adsorption data - Catalysts. University of Manchester. Dataset. Date: 2023-01-03 00:00:00 UTC
Description: Underpinning data set for Impact of Porous Silica Nanosphere Architectures on the Catalytic Perf...
DOI: 10.48420/24923019.v1
Location: https://figshare.manchester.ac.uk/articles/dataset/N2_adsorption_data_-_Catalysts/24923019/1
Article: Impact of Porous Silica Nanosphere Architectures on the Catalytic Performance of Supported Sulphonic Acid Sites for Fructose Dehydration to 5‐Hydroxymethylfurfural
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