Role of molecular rigidity on phase organization of a smectic liquid crystal-A theoretical model

▶ Interaction energy studies based on semi-emperical quantum mechanical methods assist in quantitative evaluation of mutual influence of intermolecular forces on equilibrium packing of molecules. ▶ Computations help understand the molecular interactions through which a molecular property influences macroscopic behaviour. ▶ Offers a theoretical model for role of molecular rigidity on flexibility of various configurations/phase organization of a smectic liquid crystal.