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: Integrated Theoretical and Empirical Studies for Probing Substrate–Framework Interactions in Hierarchical Catalysts Year: 2019
Authors (9):
M. Carravetta, S. Chapman, P. Cox, E. Gianotti, L. Marchese, I. Miletto, A. J. O'Malley, S. F. Parker, R. Raja
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201901188 article-journal
Themes: Design (2019)
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Title: Structure of Gold–Silver Nanoparticles Year: 2017
Authors (5):
I. J. Godfrey, A. J. Dent, I. P. Parkin, S. Maenosono, G. Sankar
Publisher: The Journal of Physical Chemistry C
DOI: 10.1021/acs.jpcc.6b11186 article-journal
Themes: Design (2017)
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Title: Linear, Trinuclear Cobalt Complexes with o-Phenylene-bis-Silylamido Ligands Year: 2017
Authors (8):
K. Y. Monakhov, J. van Leusen, P. Kögerler, E. -L. Zins, M. E. ïL. Alikhani, M. Tromp, A. A. Danopoulos, P. Braunstein
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201700496 article-journal
Themes: BAG (2017)
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Title: Designing metal nanoparticles for catalysis Year: 2017
Authors (1):
S. M. Rogers
Publisher: UCL Discovery
DOI: phd-thesis
Themes: BAG (2017), Theses (2017)
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Title: Promotion Mechanisms of Au Supported on TiO2 in Thermal- and Photocatalytic Glycerol Conversion Year: 2019
Authors (14):
Y. Shen, A. Mamakhel, X. Liu, T. W. Hansen, T. Tabanelli, D. Bonincontro, B. B. Iversen, L. Prati, Y. Li, J. W. . (H. )Niemantsverdriet, G. J. Hutchings, N. Dimitratos, A. Villa, R. Su
Publisher: The Journal of Physical Chemistry C
DOI: 10.1021/acs.jpcc.9b05475 article-journal
Themes: Design (2019)
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Title: Reversible C−H Activation, Facile C−B/B−H Metathesis and Apparent Hydroboration Catalysis by a Dimethylxanthene-Based Frustrated Lewis Pair Year: 2018
Authors (7):
P. Vasko, I. A. Zulkifly, M. ÁN. Fuentes, Z. Mo, J. Hicks, P. C. J. .Kamer, S. Aldridge
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201801871 article-journal
Themes: Design (2018)
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Title: Catalytic decomposition of NO2 over a copper-decorated metal–organic framework by non-thermal plasma Year: 2021
Authors (18):
S. Xu, X. Han, Y. Ma, T. D. Duong, L. Lin, E. K. Gibson, A. M. Sheveleva, S. Chansai, A. S. Walton, D. -T. Ngo, M. D. Frogley, C. C. Tang, F. Tuna, E. J. L. .McInnes, C. R. A. .Catlow, C. Hardacre, S. Yang, M. Schröder
Publisher: Cell Reports Physical Science
DOI: 10.1016/j.xcrp.2021.100349 article-journal
Themes: Featured (2021), Core (2021)
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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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