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• W2022772993 abstract "The influence of neighbouring rod-like molecules on the torsional potential of the paraffin molecule was investigated by the molecular-mechanics method. The environment-induced contribution V env (ø) to the torsional potential was calculated for various separations of surrounding molecules and the central alkane. At small distances, the environmental constraints enhanced the rigidity and alignment of paraffin by the increase in the gauche—trans energy difference Δ E and in interconformational barriers. At intermediate separations, an unexpected stabilisation of the gauche conformation in paraffin was observed. It was classified as the anomeric effect of intermolecular origin. The calculated conformational parameters concurred with those estimated for real systems with the anisotropic mean field as are thermotropic mesophases or lyotropic monolayers and bilayers." @default.
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• W2022772993 date "1986-08-01" @default.
• W2022772993 modified "2023-10-14" @default.
• W2022772993 title "Internal rotation of paraffinic chains in an anisotropic environment" @default.
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• W2022772993 doi "https://doi.org/10.1016/0166-1280(86)80105-1" @default.
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