Title: Quantum Mechanics/Molecular Mechanics Simulations Show Saccharide Distortion is Required for Reaction in Hen Egg‐White Lysozyme Year: 2018
Authors (4):
M. A. L. .Limb, R. Suardíaz, I. M. Grant, A. J. Mulholland
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201805250 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: 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: The Role of Mg(OH)2 in the So-Called “Base-Free” Oxidation of Glycerol with AuPd Catalysts Year: 2018
Authors (8):
J. Fu, Q. He, P. J. Miedziak, G. L. Brett, X. Huang, S. Pattisson, M. Douthwaite, G. J. Hutchings
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201704151 article-journal
Themes: Environment (2018)
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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: Understanding the role of promoters in catalysis: operando XAFS/DRIFTS study of CeOx/Pt/Al2O3 during CO oxidation Year: 2017
Authors (6):
E. K. Gibson, E. M. .Crabb, D. Gianolio, A. E. Russell, D. Thompsett, P. P. Wells
Publisher: Catalysis, Structure & Reactivity
DOI: 10.1080/2055074x.2017.1278890 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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