Abstract
Thermodynamic morphism study has been envisaged using search procedure of phase space of polymorphs at a prescribed temperature and pressure(NPT) of several azoxybenzenes based liquid crystalline compounds at room temperature using molecular structure, unit cell information and AMOEBA parameters employing Force Field computation (FFX) calculations. These calculations were carried out at various intermolecular strengths to understand the morphological walk of molecules with corresponding changes in free energy, change in a force field with a strength of the interactions and free energy difference between successive interaction strengths. This study will help us to understand the nature, range and type of mesophase in a series of azoxybenzene compounds.
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