The one-dimensional semiempirical 5-function potential model of chemical binding, proposed by Lippincott and Stutman, has been applied to calculate the average molecular polarizabilities of some substituted hydrocarbons with ring and chain structures. The residual atomic polarizability degrees of freedom of these molecules vary from 7 to 58. Results have been discussed in the view of available experimental values reported by LeFevre and others.
A theoretical study of molecular ordering in Ethyl para-azoxybenzoate has been undertaken. Modified Rayleigh-Shrodinger perturbation treatment has been employed to evaluate the stacking and in-plane lateral interactions between a pair of EPAB molecules. CNDOR, an all valence electron method, has been used to compute the net atomic charges and dipoles at each atomic centre. Results have been discussed to enunciate the role of various molecular forces in stabilizing the interacting configurations in the maintenance of molecular ordering. An attempt has also been made to correlate the results with experimental evidences.
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