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: Functional and informatics analysis enables glycosyltransferase activity prediction Year: 2018
Authors (10):
M. Yang, C. Fehl, K. V. Lees, E. -K. Lim, W. A. Offen, G. J. Davies, D. J. Bowles, M. G. Davidson, S. J. Roberts, B. G. Davis
Publisher: Nature Chemical Biology
DOI: 10.1038/s41589-018-0154-9 article-journal
Themes: Transformations (2018)
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Title: Heterostructures of GaN with SiC and ZnO enhance carrier stability and separation in framework semiconductors Year: 2017
Authors (8):
M. R. Farrow, J. Buckeridge, T. Lazauskas, D. Mora-Fonz, D. O. Scanlon, C. R. A. .Catlow, S. M. Woodley, A. A. Sokol
Publisher: Physica Status Solidi (A)
DOI: 10.1002/pssa.201600440 article-journal
Themes: Design (2017)
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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: Shape-persistent porous organic cage supported palladium nanoparticles as heterogeneous catalytic materials Year: 2019
Authors (10):
S. K. Beaumont, H. J. Cox, J. S. O. .Evans, E. K. Gibson, S. Jiang, H. Liu, I. S. Metcalfe, B. J. Murdoch, E. I. Papaioannou, C. Tang
Publisher: Nanoscale
DOI: 10.1039/c9nr04553h article-journal
Themes: Design (2019), BAG (2019)
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Title: Two isomers of a bis(diphenylphosphino)phosphinine, and the synthesis and reactivity of Ru arene/Cp* phosphinophosphinine complexes Year: 2018
Authors (4):
R. J. Newland, M. P. Delve, R. L. Wingad, S. M. Mansell
Publisher: New Journal of Chemistry
DOI: 10.1039/c8nj03632b article-journal
Themes: Environment (2018)
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Title: Synergistic ultraviolet and visible light photo-activation enables intensified low-temperature methanol synthesis over copper/zinc oxide/alumina Year: 2020
Authors (12):
B. Xie, R. J. Wong, T. H. Tan, M. Higham, E. K. Gibson, D. Decarolis, J. Callison, K. -F. Aguey-Zinsou, M. Bowker, C. R. A. .Catlow, J. Scott, R. Amal
Publisher: Nature Communications
DOI: 10.1038/s41467-020-15445-z article-journal
Themes: Core (2020), Featured (2020)
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Title: Adsorption and activation of molecular oxygen over atomic copper(I/II) site on ceria Year: 2020
Authors (26):
L. Kang, B. Wang, Q. Bing, M. Zalibera, R. Büchel, R. Xu, Q. Wang, Y. Liu, D. Gianolio, C. C. Tang, E. K. Gibson, M. Danaie, C. Allen, K. Wu, S. Marlow, L. -D. Sun, Q. He, S. Guan, A. Savitsky, J. J. Velasco-Vélez, J. Callison, C. W. M. .Kay, S. E. Pratsinis, W. Lubitz, J. -Y. Liu, F. R. Wang
Publisher: Nature Communications
DOI: 10.1038/s41467-020-17852-8 article-journal
Themes: BAG (2020)
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Title: Control of zeolite microenvironment for propene synthesis from methanol Year: 2021
Authors (22):
L. Lin, M. Fan, A. M. Sheveleva, X. Han, Z. Tang, J. H. Carter, I. da Silva, C. M. A. .Parlett, F. Tuna, E. J. L. .McInnes, G. Sastre, S. Rudić, H. Cavaye, S. F. Parker, Y. Cheng, L. L. Daemen, A. J. Ramirez-Cuesta, M. P. Attfield, Y. Liu, C. C. Tang, B. Han, S. Yang
Publisher: Nature Communications
DOI: 10.1038/s41467-021-21062-1 article-journal
Themes: Core (2021)
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