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: Selective photocatalytic oxidation of benzene for the synthesis of phenol using engineered Au–Pd alloy nanoparticles supported on titanium dioxide Year: 2014
Authors (11):
R. Su, L. Kesavan, M. M. Jensen, R. Tiruvalam, Q. He, N. Dimitratos, S. Wendt, M. Glasius, C. J. Kiely, G. J. Hutchings, F. Besenbacher
Publisher: Chemistry Communications
DOI: 10.1039/c4cc04024d article-journal
Themes: Design (2014)
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Title: Heterogeneously Catalyzed Hydrothermal Processing of C5–C6 Sugars Year: 2016
Authors (3):
X. Zhang, K. Wilson, A. F. Lee
Publisher: Chemical Reviews
DOI: 10.1021/acs.chemrev.6b00311 article-journal
Themes: Energy (2016), Transformations (2016)
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Title: Photomodulable phosphines incorporating diarylethene moieties Year: 2015
Authors (4):
G. Bianchini, G. Strukul, D. F. Wass, A. Scarso
Publisher: RSC Advances
DOI: 10.1039/c4ra16127k article-journal
Themes: Transformations (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: Low-temperature studies of propene oligomerization in ZSM-5 by inelastic neutron scattering spectroscopy Year: 2019
Authors (7):
P. Collier, R. A. Ewings, A. P. Hawkins, R. F. Howe, D. Lennon, S. F. Parker, A. Zachariou
Publisher: RSC Advances
DOI: 10.1039/c9ra03568k article-journal
Themes: Design (2019)
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Title: Spectroscopic chemical insights leading to the design of versatile sustainable composites for enhanced marine application Year: 2015
Authors (8):
A. S. Dzielendziak, J. I. R. .Blake, R. Bounds, K. A. Wilkinson, M. Carravetta, A. R. Chambers, C. -K. Skylaris, R. Raja
Publisher: RSC Advances
DOI: 10.1039/c5ra19197a article-journal
Themes: Design (2015)
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Title: Effect of steam de-alumination on the interactions of propene with H-ZSM-5 zeolites Year: 2020
Authors (8):
A. P. Hawkins, A. Zachariou, S. F. Parker, P. Collier, N. S. Barrow, I. P. Silverwood, R. F. Howe, D. Lennon
Publisher: RSC Advances
DOI: 10.1039/d0ra03871g article-journal
Themes: New Catalysts (2020)
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Title: Role of the Support in Gold-Containing Nanoparticles as Heterogeneous Catalysts Year: 2020
Authors (10):
M. Sankar, Q. He, R. V. Engel, M. A. Sainna, A. J. Logsdail, A. Roldan, D. J. Willock, N. Agarwal, C. J. Kiely, G. J. Hutchings
Publisher: Chemical Reviews
DOI: 10.1021/acs.chemrev.9b00662 journal-article
Themes: Core (2020)
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Title: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes Year: 2020
Authors (5):
J. Sirirak, N. Lawan, M. W. van der Kamp, J. N. Harvey, A. J. Mulholland
Publisher: PeerJ Physical Chemistry
DOI: 10.7717/peerj-pchem.8 journal-article
Themes: Biocatalysis (2020)
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