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Symmetry and information content of chemical structures

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Abstract

A method, based on symmetry, is suggested for determining the information content of systems. A comparison has been made between the information for symmetry, topology, and chemical composition. The new information measure increases when the asymmetry of the molecules and the number of atoms in the latter increases. It can distinguish between different molecular conformations, and give a linear correlation with the absolute entropy for homologous series of chemical compounds.

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Bonchev, D., Kamenski, D. & Kamenska, V. Symmetry and information content of chemical structures. Bltn Mathcal Biology 38, 119–133 (1976). https://doi.org/10.1007/BF02471752

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  • DOI: https://doi.org/10.1007/BF02471752

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