Title: A Comparison of the Reactivity of the Lattice Nitrogen in Tungsten Substituted Co3Mo3N and Ni2Mo3N Year: 2023
Authors (8):
S. Al Sobhi, I. AlShibane, C. R. A. .Catlow, A. Daisley, J. S. J. .Hargreaves, A. L. Hector, M. Higham, C. D. Zeinalipour-Yazdi
Publisher: ChemSusChem
DOI: 10.1002/cssc.202300945 journal-article
Themes: New Catalysts (2023)
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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: H2‐free Synthesis of Aromatic, Cyclic and Linear Oxygenates from CO2 Year: 2020
Authors (7):
L. Q. Gomez, A. K. Shehab, A. Al‐Shathr, W. Ingram, M. Konstantinova, D. Cumming, J. McGregor
Publisher: ChemSusChem
DOI: 10.1002/cssc.201902340 journal-article
Themes: New Catalysts (2020)
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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: Integrated Theoretical and Empirical Studies for Probing Substrate–Framework Interactions in Hierarchical Catalysts Year: 2019
Authors (9):
M. Carravetta, S. Chapman, P. Cox, E. Gianotti, L. Marchese, I. Miletto, A. J. O'Malley, S. F. Parker, R. Raja
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201901188 article-journal
Themes: Design (2019)
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Title: Electrochemical Behavior of Pt–Ru Catalysts Supported on Graphitized Ordered Mesoporous Carbons toward CO and Methanol Oxidation Year: 2019
Authors (6):
J. C. Calderón Gómez, L. Calvillo, V. Celorrio, M. J. Lázaro Elorri, R. Moliner, D. Sebastián
Publisher: Surfaces
DOI: 10.3390/surfaces2010001 article-journal
Themes: Energy (2019)
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Title: Quantum Mechanics/Molecular Mechanics Simulations Show Saccharide Distortion is Required for Reaction in Hen Egg‐White Lysozyme Year: 2018
Authors (4):
M. A. L. .Limb, R. Suardíaz, I. M. Grant, A. J. Mulholland
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201805250 article-journal
Themes: Biocatalysis (2018)
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Title: The Role of Mg(OH)2 in the So-Called “Base-Free” Oxidation of Glycerol with AuPd Catalysts Year: 2018
Authors (8):
J. Fu, Q. He, P. J. Miedziak, G. L. Brett, X. Huang, S. Pattisson, M. Douthwaite, G. J. Hutchings
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201704151 article-journal
Themes: Environment (2018)
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Title: Reversible C−H Activation, Facile C−B/B−H Metathesis and Apparent Hydroboration Catalysis by a Dimethylxanthene-Based Frustrated Lewis Pair Year: 2018
Authors (7):
P. Vasko, I. A. Zulkifly, M. ÁN. Fuentes, Z. Mo, J. Hicks, P. C. J. .Kamer, S. Aldridge
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201801871 article-journal
Themes: Design (2018)
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