Computational Studies of Uranium Hexafluoride Interacting with Functionalized Organics. I. Screening Intermolecular Potentials between UF6 and Small Organic …
KA Charbonnet, WA Alexander - The Journal of Physical …, 2021 - ACS Publications
We report the intermolecular binding energies (IBEs) between UF6 and over 50 different
functionalized small organic molecules as predicted by electronic structure calculations …
functionalized small organic molecules as predicted by electronic structure calculations …