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Proceedings Paper

Structural Analysis Using Interferometric Data
Author(s): Paul T. Richardson; James A. de Haseth
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Paper Abstract

A technique utilizing Fourier domain data for the determination of structure features of compounds has been examined. By categorizing a large data set, similarities in Fourier domain data have been related to structural features. Predictions of molecular structure for a compound can be made by determining which categories its data most closely resemble. Due to the speed and simplicity of this technique, it appears to be feasible to perform structure elucidation in real time for use as a prefilter before a library search, or as confirmation after a library search.

Paper Details

Date Published: 20 December 1985
PDF: 2 pages
Proc. SPIE 0553, Fourier and Computerized Infrared Spectroscopy, (20 December 1985); doi: 10.1117/12.970809
Show Author Affiliations
Paul T. Richardson, University of Georgia (United States)
James A. de Haseth, University of Georgia (United States)


Published in SPIE Proceedings Vol. 0553:
Fourier and Computerized Infrared Spectroscopy
David G. Cameron; Jeannette G. Grasselli, Editor(s)

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