Nematogenic Behaviour of EPPV in a Dielectric Medium. A Theoretical Study


4-(4′-ethoxyphenylazo) phenyl valerate (EPPV) is a nematic liquid crystal, which shows a nematic mesophase at 352 K and becomes an isotropic melt at 401 K. A theoretical study of the molecular ordering has been carried out on the basis of intermolecular interaction energy calculations. The CNDO/2 method has been employed to compute the net atomic charge and… (More)


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