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: Biobutanol as Fuel for Direct Alcohol Fuel Cells—Investigation of Sn-Modified Pt Catalyst for Butanol Electro-oxidation Year: 2016
Authors (5):
V. K. Puthiyapura, D. J. L. .Brett, A. E. Russell, W. -F. Lin, C. Hardacre
Publisher: ACS Applied Materials & Interfaces
DOI: 10.1021/acsami.6b02863 article-journal
Themes: Energy (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: Mechanistic Aspects of Hydrodeoxygenation of p-Methylguaiacol over Rh/Silica and Pt/Silica Year: 2018
Authors (7):
F. P. Bouxin, X. Zhang, I. N. Kings, A. F. Lee, M. J. .H. .Simmons, K. Wilson, S. D. Jackson
Publisher: Organic Process Research & Development
DOI: 10.1021/acs.oprd.8b00211 article-journal
Themes: Energy (2018)
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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: Cation-doping strategies for tuning of zirconia acid–base properties Year: 2022
Authors (2):
M. Delarmelina, C. R. A. .Catlow
Publisher: Royal Society Open Science
DOI: 10.1098/rsos.211423 journal-article
Themes: Water-Energy (2022)
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Title: Transition metal chalcogenide bifunctional catalysts for chemical recycling by plastic hydrocracking: a single-source precursor approach Year: 2022
Authors (4):
A. A. Tedstone, A. Bin Jumah, E. Asuquo, A. A. Garforth
Publisher: Royal Society Open Science
DOI: 10.1098/rsos.211353 journal-article
Themes: Circular Economy (2022)
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