Title: The use of carbon monoxide as a probe molecule in spectroscopic studies for determination of exposed gold sites on TiO2 Year: 2015
Authors (5):
G. M. Lari, E. Nowicka, D. J. Morgan, S. A. Kondrat, G. J. Hutchings
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c5cp02512e article-journal
Themes: Environment (2015)
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Title: Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution Year: 2019
Authors (8):
S. J. Bennie, N. Lawan, S. J. Macrae, F. R. Manby, A. J. Mulholland, K. E. Ranaghan, D. Shchepanovska, J. Zurek
Publisher: Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.8b00940 article-journal
Themes: Biocatalysis (2019)
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Title: From Bugs to Bioplastics: Total (+)-Dihydrocarvide Biosynthesis by Engineered Escherichia coli Year: 2019
Authors (5):
G. A. Ascue Avalos, H. L. Messiha, N. S. Scrutton, S. Tait, H. S. Toogood
Publisher: ChemBioChem
DOI: 10.1002/cbic.201800606 article-journal
Themes: Biocatalysis (2019)
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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: Segregation effects on the properties of (AuAg)147 Year: 2014
Authors (4):
A. L. Gould, C. J. .Heard, A. J. Logsdail, C. R. A. .Catlow
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c4cp00753k article-journal
Themes: Design (2014)
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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: 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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Title: Probing the dynamics and structure of confined benzene in MCM-41 based catalysts Year: 2020
Authors (7):
D. Dervin, A. J. O'Malley, M. Falkowska, S. Chansai, I. P. Silverwood, C. Hardacre, C. R. A. .Catlow
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/d0cp01196g article-journal
Themes: Design (2020)
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Title: Synchrotron radiation techniques in catalytic science Year: 2020
Authors (3):
C. R. A. .Catlow, P. P. Wells, D. Gianolio
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/D0CP90186E article-journal
Themes: Featured (2020), Collaborations (2020)
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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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