Title: The integration of experiment and computational modelling in heterogeneously catalysed ammonia synthesis over metal nitrides Year: 2018
Authors (4):
C. D. Zeinalipour-Yazdi, J. S. J. .Hargreaves, S. Laassiri, C. R. A. .Catlow
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c8cp04216k article-journal
Themes: Design (2018)
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Title: Two isomers of a bis(diphenylphosphino)phosphinine, and the synthesis and reactivity of Ru arene/Cp* phosphinophosphinine complexes Year: 2018
Authors (4):
R. J. Newland, M. P. Delve, R. L. Wingad, S. M. Mansell
Publisher: New Journal of Chemistry
DOI: 10.1039/c8nj03632b article-journal
Themes: Environment (2018)
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Title: An experimental and computational IR and hybrid DFT-D3 study of the conformations of l-lactic and acrylic acid: new insight into the dehydration mechanism of lactic acid to acrylic acid Year: 2019
Authors (2):
C. D. Zeinalipour-Yazdi, C. R. A. .Catlow
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c9cp02968k article-journal
Themes: Design (2019)
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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: Mechanisms of ammonia and hydrazine synthesis on η-Mn3N2-(100) surfaces Year: 2019
Authors (1):
C. D. Zeinalipour-Yazdi
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c9cp03934a journal-article
Themes: Design (2019)
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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: A DFT and KMC based study on the mechanism of the water gas shift reaction on the Pd(100) surface Year: 2020
Authors (4):
A. Chutia, A. Thetford, M. Stamatakis, C. R. A. .Catlow
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c9cp05476f article-journal
Themes: Design (2020)
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Title: Al-doped Fe2O3 as a support for molybdenum oxide methanol oxidation catalysts Year: 2020
Authors (8):
M. Bowker, P. Hellier, D. Decarolis, D. Gianolio, K. M. H. .Mohammed, A. Stenner, T. Huthwelker, P. P. Wells
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/d0cp01192d article-journal
Themes: Design (2020)
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Title: Effects of crystal size on methanol to hydrocarbon conversion over single crystals of ZSM-5 studied by synchrotron infrared microspectroscopy Year: 2020
Authors (8):
I. B. Minova, S. K. Matam, A. G. Greenaway, C. R. A. .Catlow, M. D. Frogley, G. Cinque, P. A. Wright, R. F. Howe
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/d0cp00704h article-journal
Themes: Design (2020)
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Title: Modelling the bulk properties of ambient pressure polymorphs of zirconia Year: 2020
Authors (3):
M. Delarmelina, M. G. Quesne, C. R. A. .Catlow
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/d0cp00032a article-journal
Themes: New Catalysts (2020)
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