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: 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: The Detection of Monoclinic Zirconia and Non-Uniform 3D Crystallographic Strain in a Re-Oxidized Ni-YSZ Solid Oxide Fuel Cell Anode" Year: 2020
Authors (10):
T. M. M. .Heenan, A. Vamvakeros, C. Tan, D. P. Finegan, S. R. Daemi, S. D. M. .Jacques, A. M. Beale, M. Di Michiel, D. J. L. .Brett, P. R. Shearing
Publisher: Crystals
DOI: 10.3390/cryst10100941 article-journal
Themes: Core (2021)
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Title: Switchable Polymerization Catalysis Using a Tin(II) Catalyst and Commercial Monomers to Toughen Poly(l-lactide) Year: 2021
Authors (4):
N. Yuntawattana, G. L. Gregory, L. P. ñA. Carrodeguas, C. K. Williams
Publisher: ACS Macro Letters
DOI: 10.1021/acsmacrolett.1c00216 journal-article
Themes: Circular Economy (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: Developing silicalite-1 encapsulated Ni nanoparticles as sintering-/coking-resistant catalysts for dry reforming of methane Year: 2022
Authors (12):
S. Xu, T. J. A. .Slater, H. Huang, Y. Zhou, Y. Jiao, C. M. A. .Parlett, S. Guan, S. Chansai, S. Xu, X. Wang, C. Hardacre, X. Fan
Publisher: Chemical Engineering Journal
DOI: 10.1016/j.cej.2022.137439 journal-article
Themes: Water-Energy (2022)
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Title: Synergic Heterodinuclear Catalysts for the Ring-Opening Copolymerization (ROCOP) of Epoxides, Carbon Dioxide, and Anhydrides Year: 2022
Authors (5):
W. T. Diment, W. Lindeboom, F. Fiorentini, A. C. Deacy, C. K. Williams
Publisher: Accounts of Chemical Research
DOI: 10.1021/acs.accounts.2c00197 journal-article
Themes: Circular Economy (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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