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: 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: Quantitative production of butenes from biomass-derived γ-valerolactone catalysed by hetero-atomic MFI zeolite Year: 2020
Authors (17):
L. Lin, A. M. Sheveleva, I. da Silva, C. M. A. .Parlett, Z. Tang, Y. Liu, M. Fan, X. Han, J. H. Carter, F. Tuna, E. J. L. .McInnes, Y. Cheng, L. L. Daemen, S. Rudić, A. J. Ramirez-Cuesta, C. C. Tang, S. Yang
Publisher: Nature Materials
DOI: 10.1038/s41563-019-0562-6 article-journal
Themes: BAG (2020)
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Title: Insight into the effects of confined hydrocarbon species on the lifetime of methanol conversion catalysts Year: 2020
Authors (12):
I. Lezcano-González, E. Campbell, A. E. . J. .Hoffman, M. Bocus, I. V. Sazanovich, M. Towrie, M. Agote-Arán, E. K. Gibson, A. G. Greenaway, K. De Wispelaere, V. Van Speybroeck, A. M. Beale
Publisher: Nature Materials
DOI: 10.1038/s41563-020-0800-y article-journal
Themes: Featured (2020), Design (2020)
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Title: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible Year: 2020
Authors (2):
K. Zinovjev, M. W. van der Kamp
Publisher: Bioinformatics
DOI: 10.1093/bioinformatics/btaa643 article-journal
Themes: Biocatalysis (2020)
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Title: Non-thermal plasma activated CO2 hydrogenation over K- and La- promoted layered-double hydroxide supported Ni catalysts Year: 2022
Authors (10):
C. Charalambous, S. Xu, S. Ding, S. Chansai, E. Asuquo, A. Torres Lopez, C. M. A. .Parlett, J. D. Gilmour, A. A. Garforth, C. Hardacre
Publisher: Frontiers in Chemical Engineering
DOI: 10.3389/fceng.2022.1027167 journal-article
Themes: Water-Energy (2022), Circular Economy (2022)
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