IR Spectra Simulation and Information Processing on the WWW

Author: Selzer, Paul

Source: CHIMIA International Journal for Chemistry, Volume 52, Number 11, November 1998 , pp. 678-682(5)

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Abstract:

Substance identification by IR-spectroscopic methods generally is performed by comparing the measured spectrum with a reference spectrum from a database. If the desired spectrum is not contained in the database, another method of substance identification has to be found.

Based on neural network techniques, we have developed a method which provides rapid access to simulated reference spectra. Within the scope of the 'TeleSpec-Telecooperation in Spectroscopy'-Project, this algorithm has been made available through a WWW interface. With a JAVA-enabled Web browser, interactive spectra prediction experiments can be performed.

Document Type: Research article

Publication date: 1998-11-01

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International Journal for Chemistry and Official Membership Journal of the Swiss Chemical Society (SCS) and its Divisions

CHIMIA, a scientific journal for chemistry in the broadest sense, is published 10 times a year and covers the interests of a wide and diverse readership. Contributions from all fields of chemistry and related areas are considered for publication in the form of Review Articles and Notes. A characteristic feature of CHIMIA are the thematic issues, each devoted to an area of great current significance.
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