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: Selective photocatalytic oxidation of benzene for the synthesis of phenol using engineered Au–Pd alloy nanoparticles supported on titanium dioxide Year: 2014
Authors (11):
R. Su, L. Kesavan, M. M. Jensen, R. Tiruvalam, Q. He, N. Dimitratos, S. Wendt, M. Glasius, C. J. Kiely, G. J. Hutchings, F. Besenbacher
Publisher: Chemistry Communications
DOI: 10.1039/c4cc04024d article-journal
Themes: Design (2014)
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Title: Diamond-coated ‘black silicon’ as a promising material for high-surface-area electrochemical electrodes and antibacterial surfaces Year: 2016
Authors (12):
P. W. .May, M. Clegg, T. A. .Silva, H. Zanin, O. Fatibello-Filho, V. Celorrio, D. J. Fermín, C. C. .Welch, G. Hazell, L. Fisher, A. Nobbs, B. Su
Publisher: Journal of Materials Chemistry B
DOI: 10.1039/c6tb01774f article-journal
Themes: Energy (2016)
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Title: The influence of porosity on nanoparticle formation in hierarchical aluminophosphates Year: 2019
Authors (6):
J. Callison, P. M. Mhembere, A. E. Oakley, M. E. Potter, R. Raja, L. N. Riley
Publisher: Beilstein Journal of Nanotechnology
DOI: 10.3762/bjnano.10.191 article-journal
Themes: Design (2019), BAG (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: Teaching Enzyme Catalysis Using Interactive Molecular Dynamics in Virtual Reality Year: 2019
Authors (7):
S. J. Bennie, K. E. Ranaghan, H. M. Deeks, H. E. Goldsmith, M. B. O’Connor, A. J. Mulholland, D. R. Glowacki
Publisher: Journal of Chemical Education
DOI: 10.1021/acs.jchemed.9b00181 journal-article
Themes: Biocatalysis (2019)
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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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