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: 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: 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: 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: 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: Accessing Alkyl- and Alkenylcyclopentanes from Cr-Catalyzed Ethylene Oligomerization Using 2-Phosphinophosphinine Ligands Year: 2018
Authors (6):
R. J. Newland, A. Smith, D. M. Smith, N. Fey, M. J. Hanton, S. M. Mansell
Publisher: Organometallics
DOI: 10.1021/acs.organomet.8b00063 article-journal
Themes: Collaborations (2018)
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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: On the possibility of an Eley–Rideal mechanism for ammonia synthesis on Mn6N5+x (x = 1)-(111) surfaces Year: 2018
Authors (1):
C. D. Zeinalipour-Yazdi
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c8cp02381f journal-article
Themes: Design (2018)
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Title: The adsorption of Cu on the CeO2(110) surface Year: 2017
Authors (8):
A. Chutia, E. K. Gibson, M. R. Farrow, P. P. Wells, D. O. Scanlon, N. Dimitratos, D. J. Willock, C. R. A. .Catlow
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c7cp04144f article-journal
Themes: Design (2017), BAG (2017)
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Title: The adsorbed state of a thiol on palladium nanoparticles Year: 2016
Authors (8):
S. M. Rogers, N. Dimitratos, W. Jones, M. Bowker, A. G. Kanaras, P. P. Wells, C. R. A. .Catlow, S. F. Parker
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c6cp00957c article-journal
Themes: Design (2016)
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