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Title: Reversible borohydride formation from aluminium hydrides and {H(9-BBN)}2: structural, thermodynamic and reactivity studies Year: 2019
Authors (6):
A. Caise, E. L. Kolychev, J. Hicks, M. ÁN. Fuentes, J. M. Goicoechea, S. Aldridge
Publisher: Dalton Transactions
DOI: 10.1039/c9dt00535h journal-article
Themes: Transformations (2019)
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Title: Cooperative N–H bond activation by amido-Ge(ii) cations Year: 2020
Authors (7):
X. Zhou, P. Vasko, J. Hicks, M. ÁN. Fuentes, A. Heilmann, E. L. Kolychev, S. Aldridge
Publisher: Dalton Transactions
DOI: 10.1039/d0dt01960g journal-article
Themes: Transformations (2020)
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Title: Probing the non-innocent nature of an amino-functionalised β-diketiminate ligand in silylene/iminosilane systems Year: 2020
Authors (5):
D. C. H. Do, P. Vasko, M. ÁN. Fuentes, J. Hicks, S. Aldridge
Publisher: Dalton Transactions
DOI: 10.1039/d0dt01447h journal-article
Themes: Transformations (2020)
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Title: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes Year: 2020
Authors (5):
J. Sirirak, N. Lawan, M. W. van der Kamp, J. N. Harvey, A. J. Mulholland
Publisher: PeerJ Physical Chemistry
DOI: 10.7717/peerj-pchem.8 journal-article
Themes: Biocatalysis (2020)
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Title: Reactions of a diborylstannylene with CO2 and N2O: diboration of carbon dioxide by a main group bis(boryl) complex Year: 2021
Authors (6):
A. V. Protchenko, M. ÁN. Fuentes, J. Hicks, C. McManus, R. Tirfoin, S. Aldridge
Publisher: Dalton Transactions
DOI: 10.1039/d1dt01216a journal-article
Themes: Transformations (2021)
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Title: Rigidifying a De Novo Enzyme Increases Activity and Induces a Negative Activation Heat Capacity Year: 2021
Authors (9):
S. A. Hindson, H. A. Bunzel, B. Frank, D. A. Svistunenko, C. Williams, M. W. van der Kamp, A. J. Mulholland, C. R. Pudney, J. L. . R. Anderson
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.1c01776 journal-article
Themes: Circular Economy (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: Elucidating the Significance of Copper and Nitrate Speciation in Cu-SSZ-13 for N2O Formation during NH3-SCR Year: 2021
Authors (9):
L. Negahdar, N. Omori, M. G. Quesne, M. D. Frogley, F. Cacho-Nerin, W. Jones, D. J. Price, C. R. A. .Catlow, A. M. Beale
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.1c03174 journal-article
Themes: New Catalysts (2021)
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Title: Dynamics at Polarized Carbon Dioxide–Iron Oxyhydroxide Interfaces Unveil the Origin of Multicarbon Product Formation Year: 2021
Authors (13):
R. Arrigo, R. Blume, V. Streibel, C. Genovese, A. Roldan, M. E. Schuster, C. Ampelli, S. Perathoner, J. J. Velasco-Vélez, M. Hävecker, A. Knop-Gericke, R. Schlögl, G. Centi
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.1c04296 journal-article
Themes: Collaborations (2021)
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Title: Multiscale Simulations Identify Origins of Differential Carbapenem Hydrolysis by the OXA-48 β-Lactamase Year: 2022
Authors (5):
V. H. A. .Hirvonen, T. M. Weizmann, A. J. Mulholland, J. Spencer, M. W. van der Kamp
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.1c05694 journal-article
Themes: Biocatalysis (2022)
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