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: 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: 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: The reaction of formic acid with Raney TM copper Year: 2016
Authors (5):
S. K. Callear, I. P. Silverwood, A. Chutia, C. R. A. .Catlow, S. F. Parker
Publisher: Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rspa.2016.0126 article-journal
Themes: Design (2016)
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Title: Influence of dopant substitution mechanism on catalytic properties within hierarchical architectures Year: 2016
Authors (5):
S. H. Newland, W. Sinkler, T. M. Mezza, S. R. Bare, R. Raja
Publisher: Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rspa.2016.0095 article-journal
Themes: Design (2016)
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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: Mechanism of the Catalytic Carboxylation of Alkylboronates with CO2 Using Ni−NHC Complexes: A DFT Study Year: 2017
Authors (5):
M. Delarmelina, E. Marelli, J. W. de M. Carneiro, S. P. Nolan, M. Bühl
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201703567 article-journal
Themes: Energy (2017), Environment (2017)
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Title: Continuous flow gas phase photoreforming of methanol at elevated reaction temperatures sensitised by Pt/TiO2 Year: 2016
Authors (6):
A. Caravaca, H. Daly, M. Smith, A. Mills, S. Chansai, C. Hardacre
Publisher: Reaction Chemistry & Engineering
DOI: 10.1039/c6re00140h article-journal
Themes: Energy (2016)
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Title: Neutron Scattering of Aromatic and Aliphatic Liquids Year: 2016
Authors (5):
M. Falkowska, D. T. Bowron, H. G. Manyar, C. Hardacre, T. G. A. .Youngs
Publisher: ChemPhysChem
DOI: 10.1002/cphc.201600149 article-journal
Themes: Energy (2016)
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Title: H2 production by the photocatalytic reforming of cellulose and raw biomass using Ni, Pd, Pt and Au on titania Year: 2016
Authors (4):
A. Caravaca, W. Jones, C. Hardacre, M. Bowker
Publisher: Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rspa.2016.0054 article-journal
Themes: Energy (2016)
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