Computer storage of infrared interpretations of complex substrates

Paul Meulman; Ronald W. Sarver Jr.

doi:10.1117/12.166654

31 January 1994 Computer storage of infrared interpretations of complex substructures

Paul Meulman, Ronald W. Sarver Jr.

Proceedings Volume 2089, 9th International Conference on Fourier Transform Spectroscopy; (1994) https://doi.org/10.1117/12.166654
Event: Fourier Transform Spectroscopy: Ninth International Conference, 1993, Calgary, Canada

Abstract

A computer program has been developed that stores IR peak positions with assignments, a fragment name, and an appropriate substructure. The program accommodates simple functional groups or substructures up to 500 atoms. The assignment table is retrievable by many users and is useful for structure verification, report writing, review by others, and as an aid to the interpretation of other spectra. The system was designed to store interpretations for substructures or functional groups with carefully defined substituents that may be part of a larger structure.

Citation Download Citation

Paul Meulman and Ronald W. Sarver Jr. "Computer storage of infrared interpretations of complex substructures", Proc. SPIE 2089, 9th International Conference on Fourier Transform Spectroscopy, (31 January 1994); https://doi.org/10.1117/12.166654

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