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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section08


456. NMR: Interactive Simulation of NMR Spectra

by A. Ellison, School of Science, Hull College of Higher Education, Hull, England

The program calculates the frequencies and intensities of the lines expected in the NMR spectrum for a system of two to six nuclei with spin I = 1/2. Display of the spectrum is afforded by means of a computer-generated "stick" spectrum.

The program has been written and tested using a Norsk Data NORD-100 computer with 2 Kb cache, 1 Mb main memory and 180 Mb disk storage. The six-spin version of the program has the following storage requirements: source program, 20 Kb; runtime, 90 Kb. These requirements may be altered (cf. documentation).

PASCAL (NORD-100) Lines of Code: 889


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