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: Extracting structural information of Au colloids at ultra-dilute concentrations: identification of growth during nanoparticle immobilization Year: 2019
Authors (11):
N. Abdullah, M. Briceno de Gutierrez, C. R. A. .Catlow, P. Collier, D. Decarolis, N. Dimitratos, S. Hayama, S. M. Rogers, G. F. Tierney, A. Villa, P. P. Wells
Publisher: Nanoscale Advances
DOI: 10.1039/c9na00159j article-journal
Themes: Design (2019)
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Title: Understanding the molecular basis for the controlled design of ruthenium nanoparticles in microporous aluminophosphates Year: 2016
Authors (5):
M. E. Potter, J. M. Purkis, M. Perdjon, P. P. Wells, R. Raja
Publisher: Molecular Systems Design & Engineering
DOI: 10.1039/c6me00061d article-journal
Themes: BAG (2016)
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Title: Designing metal nanoparticles for catalysis Year: 2017
Authors (1):
S. M. Rogers
Publisher: UCL Discovery
DOI: phd-thesis
Themes: BAG (2017), Theses (2017)
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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: Cycling Rate‐Induced Spatially‐Resolved Heterogeneities in Commercial Cylindrical Li‐Ion Batteries Year: 2021
Authors (15):
A. Vamvakeros, D. Matras, T. E. Ashton, A. A. Coelho, H. Dong, D. Bauer, Y. Odarchenko, S. W. T. .Price, K. T. Butler, O. Gutowski, A. ‐C. Dippel, M. von Zimmerman, J. A. Darr, S. D. M. .Jacques, A. M. Beale
Publisher: Small Methods
DOI: 10.1002/smtd.202100512 journal-article
Themes: Core (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: Co-Processing Lignocellulosic Biomass and Sewage Digestate by Hydrothermal Carbonisation: Influence of Blending on Product Quality Year: 2022
Authors (6):
K. R. Parmar, A. E. Brown, J. M. Hammerton, M. A. Camargo-Valero, L. A. Fletcher, A. B. Ross
Publisher: Energies
DOI: 10.3390/en15041418 journal-article
Themes: Design (2022)
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Title: Integrated CO2 capture and methanation on Ru/CeO2-MgO combined materials: Morphology effect from CeO2 support Year: 2022
Authors (5):
S. Sun, H. Sun, S. Guan, S. Xu, C. Wu
Publisher: Fuel
DOI: 10.1016/j.fuel.2022.123420 journal-article
Themes: Core (2022)
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Title: Integration of Hydrothermal Carbonisation and Anaerobic Digestion for the Energy Valorisation of Grass Year: 2022
Authors (4):
A. E. Brown, J. M. Hammerton, M. A. Camargo-Valero, A. B. Ross
Publisher: Energies
DOI: 10.3390/en15103495 journal-article
Themes: Design (2022)
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