Alaina L. Engdahl

We don’t have enough information about this author to calculate their statistics. If you think this is an error let us know.
Learn More
Sulfur and fluorine can participate in a variety of bonding motifs, lending significant diversity to their chemistry. Prior work has identified three distinct minima for disulfur tetrafluoride (S2F4) compounds: two FSSF3 isomers and one SSF4 species. We used a combination of sophisticated explicitly correlated coupled cluster calculations and generalized(More)
In classic work, Kuntz et al. (Proc. Nat. Acad. Sci. USA 1999, 96, 9997-10002) introduced the concept of ligand efficiency. Though that study focused primarily on drug-like molecules, it also showed that metal binding led to the greatest ligand efficiencies. Here, the physical limits of binding are examined across the wide variety of small molecules in the(More)
  • 1