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: Methanol oxidation over shell-core MO /Fe2O3 (M = Mo, V, Nb) catalysts Year: 2019
Authors (3):
M. Bowker, P. Hellier, P. P. Wells
Publisher: Chinese Journal of Catalysis
DOI: 10.1016/s1872-2067(19)63350-4 article-journal
Themes: Design (2019)
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Title: Non-thermal plasma catalysis for CO2 conversion and catalyst design for the process Year: 2021
Authors (4):
S. Xu, H. Chen, C. Hardacre, X. Fan
Publisher: Journal of Physics D: Applied Physics
DOI: 10.1088/1361-6463/abe9e1 article-journal
Themes: Water-Energy (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: Precious-metal-free catalyst could afford cost-effective green hydrogen Year: 2022
Authors (2):
L. A. King, Y. N. Regmi
Publisher: Chem
DOI: 10.1016/j.chempr.2022.05.012 journal-article
Themes: Water-Energy (2022)
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Title: Kinetic Modeling of Hydrocracking of Low-Density Polyethylene in a Batch Reactor Year: 2021
Authors (4):
A. Bin Jumah, M. Malekshahian, A. A. Tedstone, A. A. Garforth
Publisher: ACS Sustainable Chemistry & Engineering
DOI: 10.1021/acssuschemeng.1c06231 journal-article
Themes: Circular Economy (2021)
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Title: Effect of Ball-Milling Pretreatment of Cellulose on Its Photoreforming for H2 Production Year: 2022
Authors (11):
L. Lan, H. Chen, D. Lee, S. Xu, N. Skillen, A. A. Tedstone, P. K. J. .Robertson, A. A. Garforth, H. Daly, C. Hardacre, X. Fan
Publisher: ACS Sustainable Chemistry & Engineering
DOI: 10.1021/acssuschemeng.1c07301 journal-article
Themes: Circular Economy (2022)
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Title: Supramolecular Ionic Liquid Gels for Enzyme Entrapment Year: 2023
Authors (6):
H. T. Imam, K. Hill, A. Reid, S. Mix, P. C. Marr, A. C. Marr
Publisher: ACS Sustainable Chemistry & Engineering
DOI: 10.1021/acssuschemeng.3c00517 journal-article
Themes: Water-Energy (2023)
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Title: A Simple and Ligand‐Free Synthesis of Light and Durable Metal‐TiO2 Polymer Films with Enhanced Photocatalytic Properties Year: 2021
Authors (11):
X. Li, Y. Xu, A. J. Greer, M. Yue, Z. Ye, A. McNeill, C. Li, A. Mills, P. Hu, C. Hardacre, S. E. J. .Bell
Publisher: Advanced Materials Interfaces
DOI: 10.1002/admi.202101241 journal-article
Themes: Water-Energy (2021)
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