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: Electrochemical Synthesis of Nanostructured Metal-Doped Titanates and Investigation of Their Activity as Oxygen Evolution Photoanodes Year: 2018
Authors (9):
M. J. Lawrence, V. Celorrio, X. Shi, Q. Wang, A. Yanson, N. J. E. .Adkins, M. Gu, J. Rodríguez-López, P. Rodríguez
Publisher: ACS Applied Energy Materials
DOI: 10.1021/acsaem.8b00873 article-journal
Themes: BAG (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: Electrochemical characterization and regeneration of sulfur poisoned Pt catalysts in aqueous media Year: 2018
Authors (8):
C. -H. Chen, A. Halford, M. Walker, C. Brennan, S. C. S. .Lai, D. J. Fermín, P. R. Unwin, P. Rodríguez
Publisher: Journal of Electroanalytical Chemistry
DOI: 10.1016/j.jelechem.2018.03.015 article-journal
Themes: Energy (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: Nanosilicalites as Support for β-Glucosidases Covalent Immobilization Year: 2017
Authors (8):
Y. Carvalho, J. M. . A. . R. .Almeida, P. N. .Romano, K. Farrance, P. Demma Carà, N. Pereira, J. A. Lopez-Sanchez, E. F. .Sousa-Aguiar
Publisher: Applied Biochemistry and Biotechnology
DOI: 10.1007/s12010-017-2422-7 article-journal
Themes: Design (2017)
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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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Title: Methanol diffusion in zeolite HY: a combined quasielastic neutron scattering and molecular dynamics simulation study Year: 2016
Authors (6):
A. J. O'Malley, V. García-Sakai, I. P. Silverwood, N. Dimitratos, S. F. Parker, C. R. A. .Catlow
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c6cp01151a article-journal
Themes: Design (2016)
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