Why does spontaneous resolution take place? (Empirical force-field calculations)

Empirical force-field calculations were performed on [Ag{Co(aet)(en)(2)}](NO3)(3) (aet=H2NCH2CH2S-) systems to further understand the occurrence of spontaneous resolution [1]. Results of the calculations reveal that the LambdaLambdaLambdaLambda strand is more stable than the DeltaDeltaDeltaDelta strand. Furthermore, the spontaneously crystallized system LambdaLambdaLambdaLambda, with six constitutional repeating units (CRUs), LambdaLambdaLambdaLambdaLambdaLambda, was more stable than the hetero-chiral system, DeltaDeltaDeltaDelta, with the same six units as above. In addition, the calculations revealed that electrostatic interactions contributed most of the stability to the system.