The structures of two polymorphs of isotactic 1,4-cis-poly(2-methyl-1,3-pentadiene) are investigated through a computational procedure that simultaneously minimizes the conformational and the energy of a microcrystal of suitable dimensions. The results are compared with diffractometric data, and in both cases reliable structures are obtained by properly combining the indications coming from crystallographic analysis and energy calculations.
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Ferro et al. (1991) studied this question.
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