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Atomic charges and charge flows from infrared intensities: Cndash;H bonds

机译:Atomic charges and charge flows from infrared intensities: Cndash;H bonds

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Use is made of experimental infrared absorption intensities for calculating atomic charges and charge flows for a class of simple organic molecules. Various methods are discussed. Correlations of the calculated quantities with other independent structural parameters shed some new light on the peculiarities of the electrical properties of CH bonds.

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