The four-body torsional potential term was developed by Boyd and gives a cis barrier of 16.7 KJ/moland a gauche-trans energy differenceof2.5 KJ/moL15 The values ofa and b are potential parameters for the barrier to intra-molecular rotational isomerization. The last term of the potential energy functions in Eq. (1) is the nonbonded two-body interaction (the distance for cutting offthe interaction is set at 10A). The functionfor the interaction between any two atoms not directly bonded together (1 -4 types and larger, j i+3) is:


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