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 reaction of formic acid with Raney TM copper Year: 2016
Authors (5):
S. K. Callear, I. P. Silverwood, A. Chutia, C. R. A. .Catlow, S. F. Parker
Publisher: Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rspa.2016.0126 article-journal
Themes: Design (2016)
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Title: Influence of dopant substitution mechanism on catalytic properties within hierarchical architectures Year: 2016
Authors (5):
S. H. Newland, W. Sinkler, T. M. Mezza, S. R. Bare, R. Raja
Publisher: Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rspa.2016.0095 article-journal
Themes: Design (2016)
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Title: H2 production by the photocatalytic reforming of cellulose and raw biomass using Ni, Pd, Pt and Au on titania Year: 2016
Authors (4):
A. Caravaca, W. Jones, C. Hardacre, M. Bowker
Publisher: Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rspa.2016.0054 article-journal
Themes: Energy (2016)
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Title: Proteins as templates for complex synthetic metalloclusters: towards biologically programmed heterogeneous catalysis Year: 2016
Authors (2):
C. Fehl, B. G. Davis
Publisher: Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rspa.2016.0078 article-journal
Themes: Transformations (2016)
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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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Title: Multimodal Imaging of Autofluorescent Sites Reveals Varied Chemical Speciation in SSZ‐13 Crystals Year: 2021
Authors (9):
N. Omori, A. Candeo, S. Mosca, I. Lezcano-González, I. K. Robinson, L. Li, A. G. Greenaway, P. Collier, A. M. Beale
Publisher: Angewandte Chemie
DOI: 10.1002/anie.202015016 article-journal
Themes: Design (2021)
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Title: Direct Synthesis of Multiplexed Metal‐Nanowire‐Based Devices by Using Carbon Nanotubes as Vector Templates Year: 2019
Authors (16):
P. Clément, X. Xu, C. T. Stoppiello, G. A. Rance, A. Attanzio, J. N. O'Shea, R. H. Temperton, A. N. Khlobystov, K. R. J. .Lovelock, J. M. Seymour, R. M. Fogarty, A. Baker, R. A. Bourne, B. Hall, T. W. Chamberlain, M. Palma
Publisher: Angewandte Chemie
DOI: 10.1002/anie.201902857 journal-article
Themes: Energy (2019)
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Title: Phosphasalen Indium Complexes Showing High Rates and Isoselectivities in rac-Lactide Polymerizations Year: 2017
Authors (5):
D. Myers, A. J. P. .White, C. M. Forsyth, M. Bown, C. K. Williams
Publisher: Angewandte Chemie
DOI: 10.1002/anie.201701745 journal-article
Themes: Transformations (2017)
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Title: Successive Protonation of an N-Heterocyclic Imine Derived Carbonyl: Superelectrophilic Dication Versus Masked Acylium Ion Year: 2018
Authors (4):
Y. K. Loh, M. Ángeles Fuentes, P. Vasko, S. Aldridge
Publisher: Angewandte Chemie
DOI: 10.1002/anie.201810709 journal-article
Themes: Transformations (2018)
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