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: Novel Lewis acidic zeolites as heterogeneous catalysts for liquid phase chemistry Year: 2017
Authors (1):
A. Al-Nayili
Publisher: Doctoral Thesis
DOI: phd-thesis
Themes: BAG (2017)
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Title: Combined computational and neutron scattering studies of hydrocarbons confined in mesoporous materials Year: 2020
Authors (1):
D. Dervin
Publisher: Doctoral Thesis
DOI: phd-thesis
Themes: Theses (2019)
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Title: Improving Synchrotron Methods for Advanced Characterisation of Heterogeneous Catalysts Year: 2019
Authors (1):
E. K. Dann
Publisher: Doctoral Thesis
DOI: phd-thesis
Themes: Theses (2019)
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Title: Metal oxide preparation for heterogeneous catalysis Year: 2019
Authors (1):
W. T. Wallace
Publisher: Doctoral Thesis
DOI: phd-thesis
Themes: Theses (2019)
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Title: An investigation into the stability and use of non-stoichiometric YBaCo4O7+δ for oxygen enrichment processes Year: 2018
Authors (4):
S. R. .W. .Johnston, B. Ray, W. Hu, I. S. Metcalfe
Publisher: Solid State Ionics
DOI: 10.1016/j.ssi.2018.03.016 journal-article
Themes: Energy (2018)
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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: Advances in Upgrading Biomass to Biofuels and Oxygenated Fuel Additives Using Metal Oxide Catalysts Year: 2022
Authors (3):
J. Ethiraj, D. P. Wagh, H. G. Manyar
Publisher: Energy & Fuels
DOI: 10.1021/acs.energyfuels.1c03346 journal-article
Themes: Water-Energy (2022)
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Title: Investigating nanoscale catalysts from primary growth to catalytic activity Year: 2022
Authors (1):
G. F. Tierney
Publisher: Doctoral Thesis
DOI: phd-thesis
Themes: BAG (2021)
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Title: The application of neutron scattering to investigate hydrocarbon conversion over zeolite catalysts. Year: 2021
Authors (1):
A. P. Hawkins
Publisher: Doctoral Thesis
DOI: 10.5525/gla.thesis.82272 phd-thesis
Themes: Theses (2021)
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