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: Combined In Situ XAFS/DRIFTS Studies of the Evolution of Nanoparticle Structures from Molecular Precursors Year: 2017
Authors (11):
E. K. Dann, E. K. Gibson, C. R. A. .Catlow, P. Collier, T. Eralp Erden, D. Gianolio, C. Hardacre, A. B. Kroner, A. Raj, A. Goguet, P. P. Wells
Publisher: Chemistry of Materials
DOI: 10.1021/acs.chemmater.7b02552 article-journal
Themes: Design (2017), BAG (2017)
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Title: Restructuring of AuPd Nanoparticles Studied by a Combined XAFS/DRIFTS Approach Year: 2015
Authors (11):
E. K. Gibson, A. M. Beale, C. R. A. .Catlow, A. Chutia, D. Gianolio, A. L. Gould, A. B. Kroner, K. M. H. .Mohammed, M. Perdjon, S. M. Rogers, P. P. Wells
Publisher: Chemistry of Materials
DOI: 10.1021/acs.chemmater.5b00866 article-journal
Themes: Design (2015), BAG (2015)
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Title: Highly Tunable Catalyst Supports for Single-Site Ethylene Polymerization Year: 2015
Authors (8):
J. -C. Buffet, N. Wanna, T. A. Q. .Arnold, E. K. Gibson, P. P. Wells, Q. Wang, J. Tantirungrotechai, D. O’Hare
Publisher: Chemistry of Materials
DOI: 10.1021/cm503433q article-journal
Themes: Design (2015), BAG (2015)
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Title: Utilizing Benign Oxidants for Selective Aerobic Oxidations Using Heterogenized Platinum Nanoparticle Catalysts Year: 2015
Authors (5):
C. S. Hinde, A. M. Gill, P. P. Wells, T. S. . A. Hor, R. Raja
Publisher: ChemPlusChem
DOI: 10.1002/cplu.201500195 article-journal
Themes: Design (2015), BAG (2015)
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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: Di-Zinc-Aryl Complexes: CO2Insertions and Applications in Polymerisation Catalysis Year: 2017
Authors (6):
C. Romain, J. A. Garden, G. Trott, A. Buchard, A. J. P. .White, C. K. Williams
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201701013 article-journal
Themes: Transformations (2017)
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