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• W2072317077 startingPage "405" @default.
• W2072317077 abstract "Molecular interactions in 32 crystal structures of pyrimidine nucleosides and nucleoside derivatives have been studied in terms of empirical van der Waals' energy. The stacking patterns have been classified into three types according to the symmetry operations involved within the pattern. Halogen and sulphur atoms were included in the calculations where necessary. Model columns of stacked molecules were set up in a computer calculation giving the energy for different amounts of base overlap. There was a tendency for the crystal positions of the molecules to agree with the minima of the energy maps, which showed the predominance of the van der Waals' forces in determining the base-stacking arrangement. The position of the energy minimum was correlated with the molecular conformation defined by the C-N glycosidic torsion angle." @default.
• W2072317077 created "2016-06-24" @default.
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• W2072317077 date "1973-11-01" @default.
• W2072317077 modified "2023-09-25" @default.
• W2072317077 title "Crystal packing of pyrimidine nucleosides—a study in terms of empirical van der Waals' potential energy" @default.
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• W2072317077 doi "https://doi.org/10.1016/0022-2836(73)90412-9" @default.
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• W2072317077 hasPublicationYear "1973" @default.
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