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: SCILLs as selective catalysts for the oxidation of aromatic alcohols Year: 2019
Authors (8):
P. Goodrich, C. Hardacre, H. G. Manyar, V. I. Parvulescu, O. D. Pavel, I. Podolean, K. Ralphs, S. F. . R. Taylor
Publisher: Catalysis Today
DOI: 10.1016/j.cattod.2018.07.014 article-journal
Themes: Energy (2019)
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Title: In-depth characterisation of metal-support compounds in spent Co/SiO2 Fischer-Tropsch model catalysts Year: 2019
Authors (7):
C. R. A. .Catlow, M. Claeys, N. Fischer, E. K. Gibson, J. H. Neethling, E. J. Olivier, M. Wolf
Publisher: Catalysis Today
DOI: 10.1016/j.cattod.2019.01.065 article-journal
Themes: Collaborations (2019)
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Title: Neutron spectroscopy studies of methanol to hydrocarbons catalysis over ZSM-5 Year: 2020
Authors (5):
A. Zachariou, A. P. Hawkins, S. F. Parker, D. Lennon, R. F. Howe
Publisher: Catalysis Today
DOI: 10.1016/j.cattod.2020.05.030 article-journal
Themes: Design (2020)
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Title: Real-time tomographic diffraction imaging of catalytic membrane reactors for the oxidative coupling of methane Year: 2020
Authors (10):
A. Vamvakeros, D. Matras, S. D. M. .Jacques, M. Di Michiel, V. Middelkoop, P. Cong, S. W. T. .Price, C. L. Bull, P. Senecal, A. M. Beale
Publisher: Catalysis Today
DOI: 10.1016/j.cattod.2020.05.045 article-journal
Themes: BAG (2020), Core (2020)
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Title: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible Year: 2020
Authors (2):
K. Zinovjev, M. W. van der Kamp
Publisher: Bioinformatics
DOI: 10.1093/bioinformatics/btaa643 article-journal
Themes: Biocatalysis (2020)
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Title: On developing ferrisilicate catalysts supported on silicon carbide (SiC) foam catalysts for continuous catalytic wet peroxide oxidation (CWPO) reactions Year: 2020
Authors (10):
X. Ou, F. Pilitsis, N. Xu, S. F. . R. Taylor, J. Warren, A. A. Garforth, J. Zhang, C. Hardacre, Y. Jiao, X. Fan
Publisher: Catalysis Today
DOI: 10.1016/j.cattod.2018.06.033 journal-article
Themes: Water-Energy (2020)
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Title: The influence of phase purity on the stability of Pt/LaAlO3 catalysts in the aqueous phase reforming of glycerol Year: 2022
Authors (5):
D. R. Inns, X. Pei, Z. Zhou, D. J. .M. .Irving, S. A. Kondrat
Publisher: Materials Chemistry Today
DOI: 10.1016/j.mtchem.2022.101230 journal-article
Themes: BAG (2022)
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