We summarize a computational and experimental collaboration between the University of Memphis and Argonne National Laboratory to study UF6 interactions on self-assembled monolayer (SAM) surfaces…
Understanding chemical surface behaviors is never more urgent than when a chemical spill incident happens and emergency responders need to act to protect human health and the environment…
We report the intermolecular binding energies (IBEs) between UF6 and over 50 different functionalized small organic molecule as predicted by electronic structure calculations. Optimized geometries of UF6 – molecule dimers were found at the MP2/aug-cc-pwCVDZ (non-U), cc-pVDZ-PP (U) level…
When methyl-cyclohexane methanol (MCHM) leaked into the Elk River in West Virginia in 2014, over 300,000 residents were left without clean water for many days and weeks…