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: Alcohol Dehydrogenase‐Triggered Oxa‐Michael Reaction for the Asymmetric Synthesis of Disubstituted Tetrahydropyrans and Tetrahydrofurans Year: 2019
Authors (5):
V. Caprio, H. Eastman, B. Maciá, E. O'Reilly, J. Ryan
Publisher: ChemCatChem
DOI: 10.1002/cctc.201900658 article-journal
Themes: Biocatalysis (2019)
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Title: In situ synthesized low-PtCo@porous carbon catalyst for highly efficient hydrogen evolution Year: 2019
Authors (8):
J. Callison, S. Gadipelli, J. Guo, Z. Guo, X. Han, L. Kang, Y. Qin, S. Wu
Publisher: Journal of Materials Chemistry A
DOI: 10.1039/c8ta12263f article-journal
Themes: Design (2019)
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Title: Methanol Synthesis from CO2 Hydrogenation Year: 2019
Authors (1):
M. Bowker
Publisher: ChemCatChem
DOI: 10.1002/cctc.201900401 article-journal
Themes: Design (2019)
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Title: Understanding the CO Oxidation on Pt Nanoparticles Supported on MOFs by\n Operando\n XPS Year: 2018
Authors (9):
R. Vakili, E. K. Gibson, S. Chansai, S. Xu, N. Al-Janabi, P. P. Wells, C. Hardacre, A. S. Walton, X. Fan
Publisher: ChemCatChem
DOI: 10.1002/cctc.201801067 article-journal
Themes: BAG (2018)
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Title: Determining the importance of the electrode support and fabrication method during the initial screening process of an active catalyst for the oxygen evolution reaction Year: 2018
Authors (2):
M. P. Browne, A. Mills
Publisher: Journal of Materials Chemistry A
DOI: 10.1039/c8ta02908c article-journal
Themes: Energy (2018)
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Title: Hierarchically porous BEA stannosilicates as unique catalysts for bulky ketone conversion and continuous operation Year: 2016
Authors (3):
A. Al-Nayili, K. Yakabi, C. Hammond
Publisher: Journal of Materials Chemistry A
DOI: 10.1039/c5ta08709k article-journal
Themes: BAG (2016), Design (2016)
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Title: Intensification and deactivation of Sn-beta investigated in the continuous regime Year: 2016
Authors (4):
D. Padovan, C. Parsons, M. Simplicio Grasina, C. Hammond
Publisher: Green Chemistry
DOI: 10.1039/c6gc01288d article-journal
Themes: Design (2016)
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Title: Homocoupling of Phenylboronic Acid using Atomically Dispersed Gold on Carbon Catalysts: Catalyst Evolution Before Reaction Year: 2018
Authors (9):
T. E. Parmentier, S. Dawson, G. Malta, L. Lu, T. E. Davies, S. A. Kondrat, S. J. Freakley, C. J. Kiely, G. J. Hutchings
Publisher: ChemCatChem
DOI: 10.1002/cctc.201701840 article-journal
Themes: BAG (2018)
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Title: The nature and effects of rhodium and antimony dopants on the electronic structure of TiO2: towards design of Z-scheme photocatalysts Year: 2016
Authors (4):
E. N. . K. .Glover, S. G. .Ellington, G. Sankar, R. G. Palgrave
Publisher: Journal of Materials Chemistry A
DOI: 10.1039/c6ta00293e article-journal
Themes: BAG (2016)
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