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: Investigation of MoOx/Al2O3 under Cyclic Operation for Oxidative and Non-Oxidative Dehydrogenation of Propane Year: 2020
Authors (11):
S. K. Matam, C. Moffat, P. Hellier, M. Bowker, I. P. Silverwood, C. R. A. .Catlow, S. D. Jackson, J. Craswell, P. P. Wells, S. F. Parker, E. K. Gibson
Publisher: Catalysis
DOI: 10.3390/catal10121370 article-journal
Themes: Design (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: Hydrogen production by the photoreforming of methanol and the photocatalytic water–gas shift reaction Year: 2021
Authors (4):
J. Kennedy, J. S. Hayward, P. R. Davies, M. Bowker
Publisher: Journal of Physics: Energy
DOI: 10.1088/2515-7655/abdd82 article-journal
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: Cation-doping strategies for tuning of zirconia acid–base properties Year: 2022
Authors (2):
M. Delarmelina, C. R. A. .Catlow
Publisher: Royal Society Open Science
DOI: 10.1098/rsos.211423 journal-article
Themes: Water-Energy (2022)
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Title: Transition metal chalcogenide bifunctional catalysts for chemical recycling by plastic hydrocracking: a single-source precursor approach Year: 2022
Authors (4):
A. A. Tedstone, A. Bin Jumah, E. Asuquo, A. A. Garforth
Publisher: Royal Society Open Science
DOI: 10.1098/rsos.211353 journal-article
Themes: Circular Economy (2022)
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Title: Insights into selective hydrogenation of levulinic acid using copper on manganese oxide octahedral molecular sieves Year: 2022
Authors (6):
N. J. Mazumdar, G. Deshmukh, A. Rovea, P. Kumar, M. Arredondo-Arechavala, H. G. Manyar
Publisher: Royal Society Open Science
DOI: 10.1098/rsos.220078 journal-article
Themes: Water-Energy (2022)
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Title: 2023 roadmap on photocatalytic water splitting Year: 2022
Authors (17):
D. Bahnemann, P. K. J. .Robertson, C. Wang, W. Choi, H. Daly, M. Danish, H. de Lasa, S. Escobedo, C. Hardacre, T. H. Jeon, B. Kim, H. Kisch, W. Li, M. Long, M. Muneer, N. Skillen, J. Zhang
Publisher: Journal of Physics: Energy
DOI: 10.1088/2515-7655/aca9fd journal-article
Themes: Water-Energy (2022)
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Title: Palladium-doped hierarchical ZSM-5 for catalytic selective oxidation of allylic and benzylic alcohols Year: 2021
Authors (9):
S. Ding, M. Ganesh, Y. Jiao, X. Ou, M. A. Isaacs, M. S'ari, A. Torres Lopez, X. Fan, C. M. A. .Parlett
Publisher: Royal Society Open Science
DOI: 10.1098/rsos.211086 journal-article
Themes: Collaborations (2021)
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