Faraday Discuss., 2023, Advance ArticleDOI: 10.1039/D2FD00164K, PaperJacob A. DeWitt, Erin V. Phillips, Karoline L. Hebisch, Andrew W. Tricker, Carsten SieversDuring milling in N2 and H2, Ti metal is converted into TiN. Once formed, TiN acts as a mecha…
Faraday Discuss., 2023, Advance ArticleDOI: 10.1039/D2FD00166G, PaperAlexander S. Hegg, Brandon Q. Mercado, Alexander J. M. Miller, Patrick L. HollandN2 reduction to ammonia is catalyzed by molybdenum complexes of a bulky porphyrin, and the thermodynam…
Faraday Discuss., 2023, Advance ArticleDOI: 10.1039/D2FD00144F, PaperJesús Damián, Christian Rentero, Jorge Echeverría, Marta E. G. MosqueraShort contacts between alkali metal cations and methyl groups in aluminates, traditionally considered agostic in…
Faraday Discuss., 2023, Advance ArticleDOI: 10.1039/D2FD00173J, PaperMustafa Y. Aslan, Ersen Mete, Deniz UnerInteractions between atomic hydrogen and dinitrogen are facile under ambient conditions. N–NH3 is the best candidate estimated by DFT corrobora…
Faraday Discuss., 2023, Advance ArticleDOI: 10.1039/D2FD00171C, PaperVargini G. Thangavadivale, Lukas Tendera, Rüdiger Bertermann, Udo Radius, Torsten Beweries, Robin N. PerutzHalogen and hydrogen bonding using bis(carbene) nickel fluoride complexes as…
Faraday Discuss., 2023, Advance ArticleDOI: 10.1039/D2FD00152G, PaperPradeep K. R. Panyam, Michael R. BuchmeiserA liquid confinement is created using an ionic liquid containing a Rh–N-heterocyclic carbene catalyst, all supported on a polymeric monolith…
Faraday Discuss., 2023, Advance ArticleDOI: 10.1039/D2FD00167E, PaperMario N. Cosio, Waad S. Alharbi, Aishanee Sur, Chen-Hao Wang, Ahmad Najafian, Thomas R. Cundari, David C. PowersComputational studies indicate nitrogen-atom transfer at lattice-confin…
Faraday Discuss., 2023, Advance ArticleDOI: 10.1039/D2FD00158F, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Lauren E. Hatcher, Lucy K. Saunders, Ben A. CoulsonCharge density analysis, via H…
Faraday Discuss., 2023, Advance ArticleDOI: 10.1039/D2FD00169A, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Vivek Sinha, Fateme Rezai, Nihat Ege Sahin, Jacopo Catalano, Espen …
Faraday Discuss., 2023, Advance ArticleDOI: 10.1039/D2FD00155A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Ian Rouse, Vladimir LobaskinWe present a flexible artificial neural network model…