Title: Tuning of catalytic sites in Pt/TiO2 catalysts for the chemoselective hydrogenation of 3-nitrostyrene Year: 2019
Authors (15):
M. Macino, A. J. Barnes, S. M. Althahban, R. Qu, E. K. Gibson, D. J. Morgan, S. J. Freakley, N. Dimitratos, C. J. Kiely, X. Gao, A. M. Beale, D. Bethell, Q. He, M. Sankar, G. J. Hutchings
Publisher: Nature Catalysis
DOI: 10.1038/s41929-019-0334-3 article-journal
Themes: Environment (2019), Transformations (2019)
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Title: The highly surprising behaviour of diphosphine ligands in iron-catalysed Negishi cross-coupling Year: 2018
Authors (12):
A. M. Messinis, S. L. J. .Luckham, P. P. Wells, D. Gianolio, E. K. Gibson, H. M. O’Brien, H. A. Sparkes, S. A. Davis, J. Callison, D. Elorriaga, O. Hernandez-Fajardo, R. B. Bedford
Publisher: Nature Catalysis
DOI: 10.1038/s41929-018-0197-z article-journal
Themes: Transformations (2019), BAG (2019)
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Title: Rapid Estimation of Catalytic Efficiency by Cumulative Atomic Multipole Moments: Application to Ketosteroid Isomerase Mutants Year: 2017
Authors (4):
W. Beker, M. W. van der Kamp, A. J. Mulholland, W. A. Sokalski
Publisher: Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.6b01131 article-journal
Themes: Biocatalysis (2017)
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Title: Optimizing spatial pore-size and porosity distributions of adsorbents for enhanced adsorption and desorption performance Year: 2015
Authors (6):
G. Ye, X. Duan, K. Zhu, X. Zhou, M. -O. Coppens, W. Yuan
Publisher: Chemical Engineering Science
DOI: 10.1016/j.ces.2015.04.024 article-journal
Themes: Design (2015)
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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: 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: Chemical looping dry reforming of methane using mixed oxides of iron and cerium: Operation window Year: 2021
Authors (2):
F. R. García-García, I. S. Metcalfe
Publisher: Catalysis Communications
DOI: 10.1016/j.catcom.2021.106356 journal-article
Themes: Energy (2021)
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Title: Designing a data infrastructure for catalysis science aligned to FAIR data principles Year: 2022
Authors (5):
A. Nieva de la Hidalga, J. B. M. .Goodall, C. Anyika, B. Matthews, C. R. A. .Catlow
Publisher: Catalysis Communications
DOI: 10.1016/j.catcom.2021.106384 journal-article
Themes: Core (2022)
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Title: Design of CO2 hydrogenation catalysts based on phosphane/borane frustrated Lewis pairs and xanthene-derived scaffolds Year: 2022
Authors (4):
M. Delarmelina, J. W. D. M. Carneiro, C. R. A. .Catlow, M. Bühl
Publisher: Catalysis Communications
DOI: 10.1016/j.catcom.2021.106385 journal-article
Themes: Water-Energy (2022)
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Title: Effect of concentrated NaCl on catalytic wet oxidation (CWO) of short chain carboxylic acids Year: 2022
Authors (6):
X. Ou, H. Daly, S. Chansai, S. K. Beaumont, X. Fan, C. Hardacre
Publisher: Catalysis Communications
DOI: 10.1016/j.catcom.2021.106395 journal-article
Themes: Water-Energy (2022)
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