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: 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: Reactions of a Dimethylxanthene‐Derived Frustrated Lewis Pair with Silanes and Stannanes Year: 2022
Authors (5):
I. A. Zulkifly, A. V. Protchenko, M. ÁN. Fuentes, J. Hicks, S. Aldridge
Publisher: Zeitschrift für anorganische und allgemeine Chemie
DOI: 10.1002/zaac.202200110 journal-article
Themes: Transformations (2022)
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Title: Precious-metal-free catalyst could afford cost-effective green hydrogen Year: 2022
Authors (2):
L. A. King, Y. N. Regmi
Publisher: Chem
DOI: 10.1016/j.chempr.2022.05.012 journal-article
Themes: Water-Energy (2022)
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Title: Kinetics of stearic acid destruction on TiO2 ‘self-cleaning’ films revisited Year: 2022
Authors (3):
S. Alofi, C. O'Rourke, A. Mills
Publisher: Photochemical & Photobiological Sciences
DOI: 10.1007/s43630-022-00278-0 journal-article
Themes: Water-Energy (2022)
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Title: 3D printed, plastic photocatalytic flow reactors for water purification Year: 2022
Authors (5):
R. Zhou, R. Han, M. Bingham, C. O'Rourke, A. Mills
Publisher: Photochemical & Photobiological Sciences
DOI: 10.1007/s43630-022-00242-y journal-article
Themes: Water-Energy (2022)
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Title: Torsional Control of Frustrated Lewis Pair Behaviour Involving PNP‐type Phosphines Year: 2023
Authors (7):
Y. Guo, I. A. Zulkifly, J. Soderman, A. V. Protchenko, E. L. Kolychev, M. ÁN. Fuentes, S. Aldridge
Publisher: Zeitschrift für anorganische und allgemeine Chemie
DOI: 10.1002/zaac.202300016 journal-article
Themes: Transformations (2023)
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