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: Operando spectroscopy study of the carbon dioxide electro-reduction by iron species on nitrogen-doped carbon Year: 2018
Authors (17):
C. Genovese, M. E. Schuster, E. K. Gibson, D. Gianolio, V. Posligua, R. Grau-Crespo, G. Cibin, P. P. Wells, D. Garai, V. Solokha, S. Krick Calderon, J. J. Velasco-Vélez, C. Ampelli, S. Perathoner, G. Held, G. Centi, R. Arrigo
Publisher: Nature Communications
DOI: 10.1038/s41467-018-03138-7 article-journal
Themes: Design (2018), BAG (2018)
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Title: Structural investigations in pure-silica and Al-ZSM-12 with MTEA or TEA cations Year: 2018
Authors (8):
M. Počkaj, A. Meden, N. šA. Zabukovec Logar, M. Rangus, G. Mali, I. Lezcano-González, A. M. Beale, A. Golobič
Publisher: Microporous and Mesoporous Materials
DOI: 10.1016/j.micromeso.2017.12.015 article-journal
Themes: Design (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: Accessing Alkyl- and Alkenylcyclopentanes from Cr-Catalyzed Ethylene Oligomerization Using 2-Phosphinophosphinine Ligands Year: 2018
Authors (6):
R. J. Newland, A. Smith, D. M. Smith, N. Fey, M. J. Hanton, S. M. Mansell
Publisher: Organometallics
DOI: 10.1021/acs.organomet.8b00063 article-journal
Themes: Collaborations (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: On the synthesis and performance of hierarchical nanoporous TS-1 catalysts Year: 2017
Authors (6):
A. -L. Adedigba, G. Sankar, C. R. A. .Catlow, Y. Du, S. Xi, A. Borgna
Publisher: Microporous and Mesoporous Materials
DOI: 10.1016/j.micromeso.2017.02.048 article-journal
Themes: Design (2017)
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Title: Adsorption of formate species on Cu(h,k,l) low index surfaces Year: 2016
Authors (8):
A. Chutia, I. P. Silverwood, M. R. Farrow, D. O. Scanlon, P. P. Wells, M. Bowker, S. F. Parker, C. R. A. .Catlow
Publisher: Surface Science
DOI: 10.1016/j.susc.2016.05.002 article-journal
Themes: Design (2016)
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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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