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: Modern Developments in Catalysis Year: 2016
Authors (6):
G. J. Hutchings, M. G. Davidson, C. R. A. .Catlow, C. Hardacre, N. J. Turner, P. Collier
Publisher: WORLD SCIENTIFIC (EUROPE)
DOI: 10.1142/q0035 book
Themes: Featured (2019)
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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: Heteropolyacids supported on zirconia-doped γ, θ and α alumina: A physicochemical assessment and characterisation of supported solid acids Year: 2022
Authors (8):
L. Forster, Z. Qie, M. Hu, A. Mavridis, C. Price, C. M. A. .Parlett, X. Fan, C. D'Agostino
Publisher: Applied Surface Science
DOI: 10.1016/j.apsusc.2022.154696 journal-article
Themes: Circular Economy (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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Title: Integrated CO 2 capture and reverse water–gas shift reaction over CeO 2 -CaO dual functional materials Year: 2023
Authors (7):
S. Sun, C. Zhang, S. Chen, X. Zhao, Y. Wang, S. Xu, C. Wu
Publisher: Royal Society Open Science
DOI: 10.1098/rsos.230067 journal-article
Themes: Water-Energy (2023)
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