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
|
Name: 41557_2021_763_Fig4_ESM.webp Date: 2021-08-19 00:00:00 UTC
Description: Related Article: Bunzel, H. Adrian, Anderson, J. L. Ross, Hilvert, Donald, Arcus, Vickery L., va...
DOI:
Location: https://www.nature.com/articles/s41557-021-00763-6/figures/4
Article: Evolution of dynamical networks enhances catalysis in a designer enzyme
|
Name: Dataset for 'PrFeO3 photocathodes prepared through spray pyrolysis' Date: 2020-02-10 00:00:00 UTC
Description: PrFeO3 (PFO) has been shown to be an active photochemical water reduction in slurry reactors, bu...
DOI: 10.15125/BATH-00708
Location: https://researchdata.bath.ac.uk/708/
Article: PrFeO 3 Photocathodes Prepared Through Spray Pyrolysis
|
Name: INS study of the first carbon-carbon bond formation stage in the methanol-to-hydrocarbons reaction. Date: 2021-10-21 00:00:00 UTC
Description: Methanol-to-Hydrocarbons is an industrially relevant reaction. The generally accepted mechanism ...
DOI: 10.5286/ISIS.E.97999822
Location: https://data.isis.stfc.ac.uk/doi/INVESTIGATION/97999822/
Article: An assessment of hydrocarbon species in the methanol-to-hydrocarbon reaction over a ZSM-5 catalyst
Article: The Effect of Co-feeding Methyl Acetate on the H-ZSM5 Catalysed Methanol-to-Hydrocarbons Reaction
|
Name: Application of INS in order to identify the hydrocarbons retained within the ZSM-5 catalyst during the Methanol to Hydrocarbons reaction Date: 2021-07-02 00:00:00 UTC
Description: The Methanol-to-Hydrocarbons reaction uses methanol as feedstock, and turns it into more industr...
DOI: 10.5286/ISIS.E.RB1810859
Location: https://data.isis.stfc.ac.uk/doi/STUDY/103198040/
|
Name: Investigation of the ligand interaction in thiol-capped Au and Pd nanoparticle catalysts Date: 2016-10-09 00:00:00 UTC
Description: Organic stabilisers, such as thiols, thioethers, amines and polymers (i.e. polyvinylalcohol) hav...
DOI: 10.5286/ISIS.E.24091117
Location: https://data.isis.stfc.ac.uk/doi/INVESTIGATION/24091117/
Article: The adsorbed state of a thiol on palladium nanoparticles
|
Name: Investigating the diffusion component of the phenyacetylene hydrogenation reaction in Pd/TiO2 Date: 2020-03-20 00:00:00 UTC
Description: Liquid phase heterogeneous catalysis makes up one the largest proportions of chemical industry. ...
DOI: 10.5286/ISIS.E.84781304
Location: https://data.isis.stfc.ac.uk/doi/INVESTIGATION/84781304/
Article: Ammonia mobility in chabazite: insight into the diffusion component of the NH3-SCR process
|
Name: Kinetics of Benzene Hydrogenation Revisited in the Presence of Excess Liquid Date: 2020-05-27 00:00:00 UTC
Description: Heterogeneous catalysis, where the reagents are either contained in a liquid medium, or are liqu...
DOI: 10.5286/ISIS.E.86388731
Location: https://data.isis.stfc.ac.uk/doi/INVESTIGATION/86388731/
Article: Determination of toluene hydrogenation kinetics with neutron diffraction
|
Name: Kinetics of Benzene Hydrogenation Revisited in the Presence of Excess Liquid Date: 2020-09-26 00:00:00 UTC
Description: Heterogeneous catalysis, where the reagents are either contained in a liquid medium, or are liqu...
DOI: 10.5286/ISIS.E.87813090
Location: https://data.isis.stfc.ac.uk/doi/INVESTIGATION/87813090/
Article: Determination of toluene hydrogenation kinetics with neutron diffraction
|
Name: Investigating the dynamics of substituted aromatic liquids confined in Pt/MCM-41 Date: 2020-10-06 00:00:00 UTC
Description: This proposal would investigate the dynamics of ortho-/meta-/para- xylene, mesitylene and 1,3,5-...
DOI: 10.5286/ISIS.E.87815519
Location: https://data.isis.stfc.ac.uk/doi/INVESTIGATION/87815519/
Article: Probing the dynamics and structure of confined benzene in MCM-41 based catalysts
|