Untitled research work

Through cocrystallization, novel materials with tailored properties can be generated from existing materials. Most of reported studies on cocrystal formation center on the utilization of classical hydrogen bonding schemes. The requisite functional groups for such interactions are generally absent in explosives. Therefore, it is necessary to explore alternative supramolecular synthons for the explosive cocrystals. In article number 1900171, Weihua Zhu and co-workers demonstrate the application of molecular electrostatic potential surface to predict supramolecular synthons for 1,3,5-trinitro-1,3,5-triazinane (RDX)/solvent cocrystals.