J Yeboah, ZJ Metott, CM Butch… - Chemical …, 2024 - pubs.rsc.org
Ionic liquids (ILs) have emerged as a new class of materials, displaying a unique capability to self-assemble into micelles, liposomes, liquid crystals, and microemulsions. Despite …
In this work, we have provided mechanistic insight into the addition of bromine to an allylic double bond of allylaryl derivatives using experimental and DFT-based electronic structure …
M Panneerselvam, M Jaccob, LT Costa - ACS omega, 2024 - ACS Publications
In this study, comprehensive density functional theory calculations were conducted to investigate the molecular mechanism of electrocatalytic proton reduction using group 9 …
M Scheuren, L Teodoro, A Witters… - The Journal of …, 2024 - ACS Publications
While machine learning and artificial intelligence offer promising avenues in the computer- aided design of materials, the complexity of these computational techniques remains a …
M Scheuren, RC Sommers, M Boucher… - New Journal of …, 2024 - pubs.rsc.org
A homologous series of 1, 2-dimethylimidazolium-based ionic liquids with halide anions are examined by Hirshfeld surface analysis to draw out key structural details of the cation …
Thermally resistant materials have been sought after for use as lubricants, heat transfer fluids, high temperature structural materials, and other applications where thermal stability is …