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: The influence of porosity on nanoparticle formation in hierarchical aluminophosphates Year: 2019
Authors (6):
J. Callison, P. M. Mhembere, A. E. Oakley, M. E. Potter, R. Raja, L. N. Riley
Publisher: Beilstein Journal of Nanotechnology
DOI: 10.3762/bjnano.10.191 article-journal
Themes: Design (2019), BAG (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: 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: 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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Title: Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins Year: 2021
Authors (8):
Z. Yang, R. M. Twidale, S. Gervasoni, R. Suardíaz, C. K. Colenso, E. J. M. .Lang, J. Spencer, A. J. Mulholland
Publisher: Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.1c01109 journal-article
Themes: Biocatalysis (2021)
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Title: Inorganic Salt Catalysed Hydrothermal Carbonisation (HTC) of Cellulose Year: 2022
Authors (2):
J. M. Hammerton, A. B. Ross
Publisher: Catalysts
DOI: 10.3390/catal12050492 journal-article
Themes: Design (2022)
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Title: Kinetic Analysis of Glycerol Esterification Using Tin Exchanged Tungstophosphoric Acid on K-10 Year: 2022
Authors (4):
J. Keogh, C. Jeffrey, M. S. Tiwari, H. G. Manyar
Publisher: Industrial & Engineering Chemistry Research
DOI: 10.1021/acs.iecr.2c01930 journal-article
Themes: Water-Energy (2022)
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Title: Phosphorus Removal from Dirty Farmyard Water by Activated Anaerobic-Digestion-Derived Biochar Year: 2022
Authors (5):
C. Zhang, S. Sun, S. Xu, C. Johnston, C. Wu
Publisher: Industrial & Engineering Chemistry Research
DOI: 10.1021/acs.iecr.2c02668 journal-article
Themes: Core (2022)
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