- Article
Periodic DFT Investigation of Isosymmetric Alpha–Beta Phase Transition in Resorcinol Under Ambient and High Pressure
- Anna Maria Mazurek,
- Monika Franczak-Rogowska and
- Łukasz Szeleszczuk
Isosymmetric phase transitions driven by subtle hydrogen-bond rearrangements remain challenging for periodic density functional theory (DFT), particularly when energy differences between polymorphs are small. Resorcinol represents an interesting case...

