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: 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: A highly active, thermally robust iron(iii)/potassium(i) heterodinuclear catalyst for bio-derived epoxide/anhydride ring-opening copolymerizations Year: 2023
Authors (5):
W. T. Diment, G. Rosetto, N. Ezaz-Nikpay, R. W. F. .Kerr, C. K. Williams
Publisher: Green Chemistry
DOI: 10.1039/d2gc04580j journal-article
Themes: Circular Economy (2023)
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