Structural Similarity and IR Spectrum Modeling Using the Spectrum–Fragment Composition Database

Volume: 43, Issue: 3, Pages: 401 - 411
Published: May 1, 2002
Abstract
It is shown on numerous examples that IR spectra of organic compounds may be modeled by using the spectra of the structural analogs selected from the database. This paper presents a technique for model construction and the results of modeling along with some examples of model and experimental spectra. The applicability of this approach to modern and traditional methods of spectral analysis is...
Paper Details
Title
Structural Similarity and IR Spectrum Modeling Using the Spectrum–Fragment Composition Database
Published Date
May 1, 2002
Volume
43
Issue
3
Pages
401 - 411
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