Name: Recyclable Solid Catalyst for Deoxydehydration Date: 2015-12-22 18:08:00 UTC
Description: files for publication including article proof, suplementary data, athena files and origin files
DOI:
Location: https://rcahdrive.rc-harwell.ac.uk/index.php/s/mr7vqRCWcphIFUC?path=%2Facscatal.5b01936
Article: ReOx/TiO2: A Recyclable Solid Catalyst for Deoxydehydration
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Name: Molybdenum Species Evolution during Non‐Oxidative Dehydroaromatization Date: 2018-09-18 11:53:00 UTC
Description: zip file containing data supporting publication
DOI:
Location: https://rcahdrive.rc-harwell.ac.uk/index.php/s/mr7vqRCWcphIFUC?path=%2Fcctc201801299
Article: Determination of Molybdenum Species Evolution during Non‐Oxidative Dehydroaromatization of Methane and its Implications for Catalytic Performance
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Name: Unraveling the H2 promotional effect on the Palladium catalysed CO oxidation using a combination of temporally and spatially resolved investigations Date: 2018-07-26 00:00:00 UTC
Description: Data underpinning publication in Stewart et al 2018, 'Unraveling the H2 promotional effect on th...
DOI: 10.17034/e97ee975-90e2-41f8-b28a-1ae1438dcb91
Location: https://pure.qub.ac.uk/portal/en/datasets/unraveling-the-h2-promotional-effect-on-the-palladium-catalysed-co-oxidation-using-a-combination-of-temporally-and-spatially-resolved-investigations(e97ee975-90e2-41f8-b28a-1ae1438dcb91).html
Article: Unraveling the H2Promotional Effect on Palladium-Catalyzed CO Oxidation Using a Combination of Temporally and Spatially Resolved Investigations
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Name: Additional data supporting the publication of: Small bite-angle phosphinophosphinine ligands enable rhodium catalysed hydroboration of carbonyls Date: 2018-01-01 00:00:00 UTC
Description: Two zip files containing NMR spectroscopy and mass spectrometry data.
DOI: 10.17861/14c23fe6-bc65-4806-ba5e-63642a6ad3e9
Location: https://pureapps2.hw.ac.uk/portal/en/datasets/additional-data-supporting-the-publication-of-small-biteangle-phosphinophosphinine-ligands-enable-rhodium-catalysed-hydroboration-of-carbonyls(14c23fe6-bc65-4806-ba5e-63642a6ad3e9).html
Article: Small bite-angle 2-phosphinophosphinine ligands enable rhodium-catalysed hydroboration of carbonyls
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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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