Just published is the Ennis workgroup’s first collaboration with the Lyall Hanton lab. This research involves Beth Lippitt’s PhD work into flexible, hydrogen-bonded organic frameworks. Our contribution includes periodic DFT calculations and vibrational mode analysis to quantify the strength of various carboxylic acid dimer bonding geometries holding these interesting structural polymorphs together.
Read more about this work here: Lippitt et al. (2020) Cryst. Growth Des.
