VIBRATIONAL CIRCULAR DICHROISM CALCULATIONS IN SELECTED SMALL MOLECULES

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1978

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Ohio State University

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Vibrational circular dichroism calculations using a fixed partial charge model applied to the results of a normal coordinate analysis will be presented for the series of molecules, 1,1,1-bromochlorofluoroethane, 1,1-chlorofluoroethane and alanine. The results of these calculations will be compared to the experimentally determined VCD spectrum of alanine in the hydrogen stretching region.

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Author Institution: Department of Chemistry, Syracuse University

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