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: Operando Generated Ordered Heterogeneous Catalyst for the Selective Conversion of CO2 to Methanol Year: 2021
Authors (11):
A. Cherevotan, J. Raj, L. Dheer, S. Roy, S. Sarkar, R. Das, C. P. Vinod, S. Xu, P. P. Wells, U. V. Waghmare, S. C. Peter
Publisher: ACS Energy Letters
DOI: 10.1021/acsenergylett.0c02614 article-journal
Themes: Collaborations (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: 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: Bimetallic PdAu Catalysts within Hierarchically Porous Architectures for Aerobic Oxidation of Benzyl Alcohol Year: 2021
Authors (5):
P. Verma, M. E. Potter, A. E. Oakley, P. M. Mhembere, R. Raja
Publisher: Nanomaterials
DOI: 10.3390/nano11020350 journal-article
Themes: BAG (2021)
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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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Title: A Low‐Temperature Synthetic Route Toward a High‐Entropy 2D Hexernary Transition Metal Dichalcogenide for Hydrogen Evolution Electrocatalysis Year: 2023
Authors (16):
J. Qu, A. Elgendy, R. Cai, M. A. Buckingham, A. A. Papaderakis, H. de Latour, K. Hazeldine, G. F. S. .Whitehead, F. Alam, C. T. Smith, D. J. Binks, A. S. Walton, J. M. Skelton, R. A. W. .Dryfe, S. J. Haigh, D. J. Lewis
Publisher: Advanced Science
DOI: 10.1002/advs.202204488 journal-article
Themes: Circular Economy (2023)
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Title: Recent advances in processes and catalysts for glycerol carbonate production via direct and indirect use of CO2 Year: 2024
Authors (5):
P. Inrirai, J. Keogh, A. Centeno-Pedrazo, N. Artioli, H. G. Manyar
Publisher: Journal of CO2 Utilization
DOI: 10.1016/j.jcou.2024.102693 journal-article
Themes: Water-Energy (2024)
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Title: Nanostructured Solid/Liquid Acid Catalysts for Glycerol Esterification: The Key to Convert Liability into Assets Year: 2024
Authors (4):
J. Keogh, P. Inrirai, N. Artioli, H. G. Manyar
Publisher: Nanomaterials
DOI: 10.3390/nano14070615 journal-article
Themes: Water-Energy (2024)
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