Title: QM/MM simulations identify the determinants of catalytic activity differences between type II dehydroquinase enzymes Year: 2018
Authors (4):
E. Lence, M. W. van der Kamp, C. González-Bello, A. J. Mulholland
Publisher: Organic & Biomolecular Chemistry
DOI: 10.1039/c8ob00066b article-journal
Themes: Biocatalysis (2018)
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Title: Comparing ammonia diffusion in NH3-SCR zeolite catalysts: a quasielastic neutron scattering and molecular dynamics simulation study Year: 2018
Authors (7):
A. J. O'Malley, M. Sarwar, J. Armstrong, C. R. A. .Catlow, I. P. Silverwood, A. P. E. .York, I. Hitchcock
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c8cp01022f article-journal
Themes: Design (2018)
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Title: Mean Intrinsic Activity of Single Mn Sites at LaMnO3 Nanoparticles Towards the Oxygen Reduction Reaction Year: 2018
Authors (7):
V. Celorrio, L. Calvillo, C. A. M. .van den Bosch, G. Granozzi, A. Aguadero, A. E. Russell, D. J. Fermín
Publisher: ChemElectroChem
DOI: 10.1002/celc.201800729 article-journal
Themes: Design (2018), BAG (2018)
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Title: Effect of Ba Content on the Activity of La1-xBaxMnO3 Towards the Oxygen Reduction Reaction Year: 2018
Authors (6):
G. P. . A. .Gobaille-Shaw, V. Celorrio, L. Calvillo, L. J. Morris, G. Granozzi, D. J. Fermín
Publisher: ChemElectroChem
DOI: 10.1002/celc.201800052 article-journal
Themes: Design (2018)
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Title: Computational QM/MM investigation of the adsorption of MTH active species in H-Y and H-ZSM-5 Year: 2019
Authors (4):
S. A. F. .Nastase, A. J. O'Malley, C. R. A. .Catlow, A. J. Logsdail
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c8cp06736h article-journal
Themes: Design (2018)
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Title: Facet‐Resolved Electrochemistry of Polycrystalline Boron‐Doped Diamond Electrodes: Microscopic Factors Determining the Solvent Window in Aqueous Potassium Chloride Solutions Year: 2018
Authors (7):
D. ‐Q. Liu, C. -H. Chen, D. Perry, G. West, S. J. Cobb, J. V. Macpherson, P. R. Unwin
Publisher: ChemElectroChem
DOI: 10.1002/celc.201800770 article-journal
Themes: Transformations (2018)
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Title: Adsorption and Electrochemical Oxidation of Small Sulfur−Containing Anions on Pt Electrodes in Organic Media Year: 2018
Authors (6):
C. -H. Chen, C. Brennan, S. C. S. .Lai, D. J. Fermín, P. R. Unwin, P. Rodríguez
Publisher: ChemElectroChem
DOI: 10.1002/celc.201800478 article-journal
Themes: Transformations (2018)
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Title: Pd local structure and size correlations to the activity of Pd/TiO2 for photocatalytic reforming of methanol Year: 2019
Authors (6):
N. Abdullah, H. Bahruji, S. M. Rogers, P. P. Wells, C. R. A. .Catlow, M. Bowker
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c9cp00826h article-journal
Themes: Design (2019), Environment (2019), BAG (2019)
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Title: Catalytic applications of small bite-angle diphosphorus ligands with single-atom linkers Year: 2017
Authors (1):
S. M. Mansell
Publisher: Dalton Transactions
DOI: 10.1039/c7dt03395h article-journal
Themes: Collaborations (2017)
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Title: A ruthenium(ii) bis(phosphinophosphinine) complex as a precatalyst for transfer-hydrogenation and hydrogen-borrowing reactions Year: 2017
Authors (4):
R. J. Newland, M. F. .Wyatt, R. L. Wingad, S. M. Mansell
Publisher: Dalton Transactions
DOI: 10.1039/c7dt01022b article-journal
Themes: Biocatalysis (2017), Environment (2017)
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