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- W2000475636 abstract "Conformational and packing energy calculations have been performed on the two crystalline modifications of poly(trans-1,4-butadiene), and the results have been compared with experimental data. The conformational energy calculations predict the chain axis and conformation of the modification that is stable below 76°C, without any a priori assumption. Packing energy calculations on this modification show that the best space group is P21a and the position of the chains is in good agreement with X-ray data. Conformational energy calculations on the modification that is stable above 76°C predict that the lowest energy conformation is a statistical sequence with a random distribution of the three minimum torsion angles around the single bonds adjacent to the double bond, with a trans conformation around the other single bond." @default.
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- W2000475636 date "1985-12-01" @default.
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- W2000475636 title "Conformational and packing energy calculations on the two crystalline modifications of poly (trans-1,4-butadiene)" @default.
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- W2000475636 doi "https://doi.org/10.1016/0032-3861(85)90184-3" @default.
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