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: A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase Year: 2021
Authors (11):
M. Ortmayer, F. J. Hardy, M. G. Quesne, K. Fisher, C. W. Levy, D. J. Heyes, C. R. A. .Catlow, S. P. de Visser, S. E. J. .Rigby, S. Hay, A. P. Green
Publisher: JACS Au
DOI: 10.1021/jacsau.1c00145 article-journal
Themes: New Catalysts (2021)
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Title: A Workflow Demonstrator for Processing Catalysis Research Data Year: 2022
Authors (8):
A. Nieva de la Hidalga, D. Decarolis, S. Xu, S. K. Matam, W. Y. H. Enciso, J. B. M. .Goodall, B. Matthews, C. R. A. .Catlow
Publisher: Data Intelligence
DOI: 10.1162/dint_a_00143 journal-article
Themes: Core (2022), New Catalysts (2022)
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Title: Adsorption and activation of molecular oxygen over atomic copper(I/II) site on ceria Year: 2020
Authors (26):
L. Kang, B. Wang, Q. Bing, M. Zalibera, R. Büchel, R. Xu, Q. Wang, Y. Liu, D. Gianolio, C. C. Tang, E. K. Gibson, M. Danaie, C. Allen, K. Wu, S. Marlow, L. -D. Sun, Q. He, S. Guan, A. Savitsky, J. J. Velasco-Vélez, J. Callison, C. W. M. .Kay, S. E. Pratsinis, W. Lubitz, J. -Y. Liu, F. R. Wang
Publisher: Nature Communications
DOI: 10.1038/s41467-020-17852-8 article-journal
Themes: BAG (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: Ammonia mobility in chabazite: insight into the diffusion component of the NH3-SCR process Year: 2016
Authors (8):
A. J. O'Malley, I. Hitchcock, M. Sarwar, I. P. Silverwood, S. Hindocha, C. R. A. .Catlow, A. P. E. .York, P. Collier
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c6cp01160h article-journal
Themes: Design (2016)
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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: An investigation of the effect of carbon support on ruthenium/carbon catalysts for lactic acid and butanone hydrogenation Year: 2016
Authors (8):
D. R. Jones, S. Iqbal, S. A. Kondrat, G. M. Lari, P. J. Miedziak, D. J. Morgan, S. F. Parker, G. J. Hutchings
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c6cp01311b article-journal
Themes: Environment (2015)
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Title: Artificial Metalloenzymes as Catalysts for Oxidative Lignin Degradation Year: 2018
Authors (7):
M. V. Doble, A. G. Jarvis, A. C. C. .Ward, J. D. Colburn, J. P. Götze, M. Bühl, P. C. J. .Kamer
Publisher: ACS Sustainable Chemistry & Engineering
DOI: 10.1021/acssuschemeng.8b03568 article-journal
Themes: Biocatalysis (2018)
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Title: Blurring the boundary between homogenous and heterogeneous catalysis using palladium nanoclusters with dynamic surfaces Year: 2021
Authors (14):
I. Cano, A. Weilhard, C. Martin, J. Pinto, R. W. Lodge, A. R. Santos, G. A. Rance, E. H. Åhlgren, E. Jónsson, J. Yuan, Z. Y. Li, P. Licence, A. N. Khlobystov, J. Alves Fernandes
Publisher: Nature Communications
DOI: 10.1038/s41467-021-25263-6 journal-article
Themes: BAG (2021)
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