Name: 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) Date: 2019-06-28 00:00:00 UTC
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
Article: Impact of Nanoparticle–Support Interactions in Co3O4/Al2O3 Catalysts for the Preferential Oxidation of Carbon Monoxide
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Name: Iron Negishi mechanistic NatCat 2018 Date: 2018-12-31 00:00:00 UTC
Description: Data supporting Nature Catalysis paper
DOI: 10.5523/bris.1kp2f62x3klb02mfz2qymcmxmx
Location: https://data.bris.ac.uk/data/dataset/1kp2f62x3klb02mfz2qymcmxmx/
Article: The highly surprising behaviour of diphosphine ligands in iron-catalysed Negishi cross-coupling
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Name: 2190-4286-10-191-S1.pdf Date: 2019-09-25 00:00:00 UTC
Description: Supplementary data for The influence of porosity on nanoparticle formation in hierarchical alumi...
DOI:
Location: https://www.beilstein-journals.org/bjnano/content/supplementary/2190-4286-10-191-S1.pdf
Article: The influence of porosity on nanoparticle formation in hierarchical aluminophosphates
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Name: Enlighten2 PyMOL plugin c Date: 2020-10-15 00:00:00 UTC
Description: The Enlighten2 PyMOL plugin code can be downloaded directly from the project website (https://en...
DOI:
Location: https://enlighten2.github.io/
Article: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible
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Name: Supplementary The Detection of Monoclinic Zirconia and Non-Uniform 3D Crystallographic Strain in a Re-Oxidized Ni-YSZ Solid Oxide Fuel Cell Anode Date: 2020-10-16 00:00:00 UTC
Description: Figure S1: Full profile analysis using the Rietveld method for the mean diffraction pattern extr...
DOI:
Location: https://www.mdpi.com/2073-4352/10/10/941/s1
Article: The Detection of Monoclinic Zirconia and Non-Uniform 3D Crystallographic Strain in a Re-Oxidized Ni-YSZ Solid Oxide Fuel Cell Anode"
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Name: Electrocatalytic Site Activity Enhancement via Orbital Overlap in A2MnRuO7 (A = Dy3+, Ho3+, Er3+) Pyrochlore Nanostructures Date: 2021-01-07 00:00:00 UTC
Description: This data folder corresponds to the study of the electrochemical behavior of A2MnRuO7 (A = Dy, H...
DOI:
Location: https://data.bris.ac.uk/datasets/2ziu8eflfw7zv25mc8j4h80jfl/2ziu8eflfw7zv25mc8j4h80jfl.zip
Article: Electrocatalytic Site Activity Enhancement via Orbital Overlap in A2MnRuO7 (A = Dy3+, Ho3+, and Er3+) Pyrochlore Nanostructures
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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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