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: Investigation of MoOx/Al2O3 under Cyclic Operation for Oxidative and Non-Oxidative Dehydrogenation of Propane Year: 2020
Authors (11):
S. K. Matam, C. Moffat, P. Hellier, M. Bowker, I. P. Silverwood, C. R. A. .Catlow, S. D. Jackson, J. Craswell, P. P. Wells, S. F. Parker, E. K. Gibson
Publisher: Catalysis
DOI: 10.3390/catal10121370 article-journal
Themes: Design (2020)
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Title: Non-thermal plasma catalysis for CO2 conversion and catalyst design for the process Year: 2021
Authors (4):
S. Xu, H. Chen, C. Hardacre, X. Fan
Publisher: Journal of Physics D: Applied Physics
DOI: 10.1088/1361-6463/abe9e1 article-journal
Themes: Water-Energy (2021)
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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: Ni/support-CaO bifunctional combined materials for integrated CO2 capture and reverse water-gas shift reaction: Influence of different supports Year: 2022
Authors (6):
S. Sun, C. Zhang, S. Guan, S. Xu, P. T. Williams, C. Wu
Publisher: Separation and Purification Technology
DOI: 10.1016/j.seppur.2022.121604 journal-article
Themes: Core (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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