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: 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: 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: 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: Application of Inelastic Neutron Scattering to the Methanol-to-Gasoline Reaction Over a ZSM-5 Catalyst Year: 2016
Authors (5):
R. F. Howe, J. McGregor, S. F. Parker, P. Collier, D. Lennon
Publisher: Catalysis Letters
DOI: 10.1007/s10562-016-1742-5 article-journal
Themes: Design (2016)
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Title: Sustainable polymers from renewable resources Year: 2016
Authors (3):
Y. Zhu, C. Romain, C. K. Williams
Publisher: Nature
DOI: 10.1038/nature21001 article-journal
Themes: Transformations (2016)
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Title: Reactivity of Boryl- and Silyl-Substituted Carbenoids toward Alkynes: Insertion and Cycloaddition Chemistry Year: 2015
Authors (6):
A. V. Protchenko, M. P. Blake, A. D. Schwarz, C. Jones, P. Mountford, S. Aldridge
Publisher: Organometallics
DOI: 10.1021/om501252m article-journal
Themes: Transformations (2015)
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Title: Stable amorphous georgeite as a precursor to a high-activity catalyst Year: 2016
Authors (18):
S. A. Kondrat, P. J. Smith, P. P. Wells, P. A. Chater, J. H. Carter, D. J. Morgan, E. M. Fiordaliso, J. B. Wagner, T. E. Davies, L. Lu, J. K. Bartley, S. H. Taylor, M. S. Spencer, C. J. Kiely, G. J. Kelly, C. W. Park, M. J. Rosseinsky, G. J. Hutchings
Publisher: Nature
DOI: 10.1038/nature16935 article-journal
Themes: Environment (2016), BAG (2016)
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Title: Chiral Wide-Bite-Angle Diphosphine Ligands: Synthesis, Coordination Chemistry, and Application in Pd-Catalyzed Allylic Alkylation Year: 2015
Authors (7):
C. F. Czauderna, A. G. Jarvis, F. J. L. .Heutz, D. B. Cordes, A. M. Z. .Slawin, J. I. van der Vlugt, P. C. J. .Kamer
Publisher: Organometallics
DOI: 10.1021/om5008055 article-journal
Themes: Environment (2015)
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Title: Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution Year: 2019
Authors (8):
S. J. Bennie, N. Lawan, S. J. Macrae, F. R. Manby, A. J. Mulholland, K. E. Ranaghan, D. Shchepanovska, J. Zurek
Publisher: Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.8b00940 article-journal
Themes: Biocatalysis (2019)
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