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: Electrochemical characterization and regeneration of sulfur poisoned Pt catalysts in aqueous media Year: 2018
Authors (8):
C. -H. Chen, A. Halford, M. Walker, C. Brennan, S. C. S. .Lai, D. J. Fermín, P. R. Unwin, P. Rodríguez
Publisher: Journal of Electroanalytical Chemistry
DOI: 10.1016/j.jelechem.2018.03.015 article-journal
Themes: Energy (2018)
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Title: Hydrogenation of CO2 to Dimethyl Ether over Brønsted Acidic PdZn Catalysts Year: 2018
Authors (6):
H. Bahruji, R. D. Armstrong, J. Ruiz Esquius, W. Jones, M. Bowker, G. J. Hutchings
Publisher: Industrial & Engineering Chemistry Research
DOI: 10.1021/acs.iecr.8b00230 article-journal
Themes: Environment (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: Rapid Estimation of Catalytic Efficiency by Cumulative Atomic Multipole Moments: Application to Ketosteroid Isomerase Mutants Year: 2017
Authors (4):
W. Beker, M. W. van der Kamp, A. J. Mulholland, W. A. Sokalski
Publisher: Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.6b01131 article-journal
Themes: Biocatalysis (2017)
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Title: Photoelectrochemical properties of BiOCl microplatelets Year: 2018
Authors (6):
J. Stephenson, V. Celorrio, D. Tiwari, S. R. Hall, D. C. Green, D. J. Fermín
Publisher: Journal of Electroanalytical Chemistry
DOI: 10.1016/j.jelechem.2017.10.024 article-journal
Themes: Energy (2017)
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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: 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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Title: Zinc versus Magnesium: Orthogonal Catalyst Reactivity in Selective Polymerizations of Epoxides, Bio-derived Anhydrides and Carbon Dioxide Year: 2017
Authors (4):
P. K. Saini, G. Fiorani, R. T. Mathers, C. K. Williams
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201605690 article-journal
Themes: Transformations (2017)
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