Article ID Journal Published Year Pages File Type
1409384 Journal of Molecular Structure 2011 4 Pages PDF
Abstract
► Isotopic shifts facilitate the correct assignment of calculated vibrational wavenumbers. ► Analogs of the Duschinsky matrix enable the mutual co-assignment of the wavenumbers of related isotope-containing compounds. ► Isotopic shifts in the overall analysis of the data lead to physically significant assignments of the bands.
Related Topics
Physical Sciences and Engineering Chemistry Organic Chemistry
Authors
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