Title: Identification of single-site gold catalysis in acetylene hydrochlorination Year: 2017
Authors (15):
G. Malta, S. A. Kondrat, S. J. Freakley, C. J. Davies, L. Lu, S. Dawson, A. Thetford, E. K. Gibson, D. J. Morgan, W. Jones, P. P. Wells, P. Johnston, C. R. A. .Catlow, C. J. Kiely, G. J. Hutchings
Publisher: Science
DOI: 10.1126/science.aal3439 article-journal
Themes: Design (2017), Environment (2017), BAG (2017), Featured (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: Asymmetric Construction of Alkaloids by Employing a Key ω‐Transaminase Cascade Year: 2020
Authors (6):
F. Taday, J. Ryan, S. P. Argent, V. Caprio, B. Maciá, E. O'Reilly
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.202000067 article-journal
Themes: Biocatalysis (2020)
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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: 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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Title: Techno-Economic Assessment and Sensitivity Analysis of Glycerol Valorization to Biofuel Additives via Esterification Year: 2023
Authors (6):
K. Pandit, C. Jeffrey, J. Keogh, M. S. Tiwari, N. Artioli, H. G. Manyar
Publisher: Industrial & Engineering Chemistry Research
DOI: 10.1021/acs.iecr.3c00964 journal-article
Themes: Water-Energy (2023)
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