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: Chemo-enzymatic routes towards the synthesis of bio-based monomers and polymers Year: 2019
Authors (3):
S. T. Ahmed, N. G. H. .Leferink, N. S. Scrutton
Publisher: Molecular Catalysis
DOI: 10.1016/j.mcat.2019.01.036 article-journal
Themes: Biocatalysis (2019)
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Title: Self-Limiting Growth of Two-Dimensional Palladium between Graphene Oxide Layers Year: 2019
Authors (12):
S. J. Haigh, C. Hardacre, C. Hu, K. Huang, V. G. Kravets, R. R. Nair, M. Neek-Amal, F. M. Peeters, E. Prestat, V. K. Puthiyapura, Y. Su, H. Xiao
Publisher: Nano Letters
DOI: 10.1021/acs.nanolett.9b01733 article-journal
Themes: Energy (2019)
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Title: Catalysts for the Selective Oxidation of Methanol Year: 2016
Authors (3):
C. Brookes, M. Bowker, P. P. Wells
Publisher: Catalysts
DOI: 10.3390/catal6070092 article-journal
Themes: BAG (2016)
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Title: Rapid synthesis of [Au25(Cys)18] nanoclusters via carbon monoxide in microfluidic liquid-liquid segmented flow system and their antimicrobial performance Year: 2020
Authors (9):
H. Huang, G. B. Hwang, G. Wu, K. Karu, H. Du Toit, H. Wu, J. Callison, I. P. Parkin, A. Gavriilidis
Publisher: Chemical Engineering Journal
DOI: 10.1016/j.cej.2019.123176 article-journal
Themes: Core (2020)
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Title: Designing Materials for Aqueous Catalysis: Ionic Liquid Gel and Silica Sphere Entrapped Iron-TAML Catalysts for Oxidative Degradation of Dyes Year: 2020
Authors (8):
P. McNeice, A. Reid, H. T. Imam, C. McDonagh, J. D. Walby, T. J. Collins, A. C. Marr, P. C. Marr
Publisher: Environmental Science & Technology
DOI: 10.1021/acs.est.0c04279 article-journal
Themes: Featured (2020), Water-Energy (2020)
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Title: Investigations of Carbon Nitride-Supported Mn3O4 Oxide Nanoparticles for ORR Year: 2020
Authors (8):
A. I. Large, S. Wahl, S. Abate, I. da Silva, J. J. Delgado Jaen, N. Pinna, G. Held, R. Arrigo
Publisher: Catalysts
DOI: 10.3390/catal10111289 article-journal
Themes: Design (2020)
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Title: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes Year: 2020
Authors (5):
J. Sirirak, N. Lawan, M. W. van der Kamp, J. N. Harvey, A. J. Mulholland
Publisher: PeerJ Physical Chemistry
DOI: 10.7717/peerj-pchem.8 journal-article
Themes: Biocatalysis (2020)
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Title: Influence of Biochar Composition and Source Material on Catalytic Performance: The Carboxylation of Glycerol with CO2 as a Case Study Year: 2020
Authors (4):
C. Collett, O. řE. Mašek, N. Razali, J. McGregor
Publisher: Catalysts
DOI: 10.3390/catal10091067 journal-article
Themes: New Catalysts (2020)
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Title: Improving Product Yield in the Direct Carboxylation of Glycerol with CO2 through the Tailored Selection of Dehydrating Agents Year: 2021
Authors (2):
N. Razali, J. McGregor
Publisher: Catalysts
DOI: 10.3390/catal11010138 journal-article
Themes: New Catalysts (2021)
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