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: 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: Confinement Effects on the Benzene Orientational Structure Year: 2018
Authors (5):
M. Falkowska, D. T. Bowron, H. G. Manyar, T. G. A. .Youngs, C. Hardacre
Publisher: Angewandte Chemie International Edition
DOI: 10.1002/anie.201713115 article-journal
Themes: Energy (2018)
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Title: Selective Polymerization Catalysis from Monomer Mixtures: Using a Commercial Cr-Salen Catalyst To Access ABA Block Polyesters Year: 2018
Authors (2):
T. Stößer, C. K. Williams
Publisher: Angewandte Chemie International Edition
DOI: 10.1002/anie.201801400 article-journal
Themes: Transformations (2018)
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Title: Encapsulation of Crabtree's Catalyst in Sulfonated MIL-101(Cr): Enhancement of Stability and Selectivity between Competing Reaction Pathways by the MOF Chemical Microenvironment Year: 2018
Authors (9):
A. Grigoropoulos, A. I. McKay, A. P. Katsoulidis, R. P. Davies, A. Haynes, L. Brammer, J. Xiao, A. S. Weller, M. J. Rosseinsky
Publisher: Angewandte Chemie International Edition
DOI: 10.1002/anie.201710091 article-journal
Themes: Transformations (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 integration of experiment and computational modelling in heterogeneously catalysed ammonia synthesis over metal nitrides Year: 2018
Authors (4):
C. D. Zeinalipour-Yazdi, J. S. J. .Hargreaves, S. Laassiri, C. R. A. .Catlow
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c8cp04216k article-journal
Themes: Design (2018)
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Title: Reversible C−H Activation, Facile C−B/B−H Metathesis and Apparent Hydroboration Catalysis by a Dimethylxanthene-Based Frustrated Lewis Pair Year: 2018
Authors (7):
P. Vasko, I. A. Zulkifly, M. ÁN. Fuentes, Z. Mo, J. Hicks, P. C. J. .Kamer, S. Aldridge
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201801871 article-journal
Themes: Design (2018)
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Title: Switch Catalysis To Deliver Multi‐Block Polyesters from Mixtures of Propene Oxide, Lactide, and Phthalic Anhydride Year: 2018
Authors (3):
T. Stößer, D. Mulryan, C. K. Williams
Publisher: Angewandte Chemie International Edition
DOI: 10.1002/anie.201810245 journal-article
Themes: Transformations (2018)
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