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: Methanol oxidation over shell-core MO /Fe2O3 (M = Mo, V, Nb) catalysts Year: 2019
Authors (3):
M. Bowker, P. Hellier, P. P. Wells
Publisher: Chinese Journal of Catalysis
DOI: 10.1016/s1872-2067(19)63350-4 article-journal
Themes: Design (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: 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: Supported Pt Enabled Proton-Driven NAD(P)+ Regeneration for Biocatalytic Oxidation Year: 2022
Authors (10):
J. W. H. .Burnett, H. Chen, J. Li, Y. Li, S. Huang, J. Shi, A. J. McCue, R. F. Howe, S. D. Minteer, X. Wang
Publisher: ACS Applied Materials & Interfaces
DOI: 10.1021/acsami.2c01743 journal-article
Themes: Water-Energy (2022)
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Title: Kinetic Analysis of Glycerol Esterification Using Tin Exchanged Tungstophosphoric Acid on K-10 Year: 2022
Authors (4):
J. Keogh, C. Jeffrey, M. S. Tiwari, H. G. Manyar
Publisher: Industrial & Engineering Chemistry Research
DOI: 10.1021/acs.iecr.2c01930 journal-article
Themes: Water-Energy (2022)
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