Name: Dataset for the publication: "The methyl torsion in unsaturated compounds" published in ACS Omega (2019) by Zachariou et al. Date: 2019-11-29 00:00:00 UTC
Description: This dataset contains the information (both experimental and computational) that was the basis o...
DOI: 10.5286/edata/736
Location: https://edata.stfc.ac.uk/handle/edata/761
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Name: Operando XAFS investigation on the effect of ash deposition on three-way catalyst used in Gasoline Particulate Filters and the effect of the manufacturing process on the catalytic activity.Supportinginformation Date: 2021-06-04 00:00:00 UTC
Description: Operando XAFS investigation on the effect of ash deposition on three-way catalyst used in Gasoli...
DOI:
Location: https://stacks.iop.org/JPCM/33/284001/mmedia
Article: Operando XAFS investigation on the effect of ash deposition on three-way catalyst used in gasoline particulate filters and the effect of the manufacturing process on the catalytic activity
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Name: Structure of MbQ NMH Date: 2018-01-30 00:00:00 UTC
Description: Structure of MbQ NMH
DOI: 10.2210/pdb5ojb/pdb
Location: http://www.ebi.ac.uk/pdbe-srv/view/entry/5ojb/summary
Article: A Noncanonical Proximal Heme Ligand Affords an Efficient Peroxidase in a Globin Fold
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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: 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: 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
Description: Related Article: Sirirak, Jitnapa, Lawan, Narin, Van der Kamp, Marc W., Harvey, Jeremy N., Mulho...
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
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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