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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section08


356. DNMR3-IT2: A Computer Program for the Calculation of Complex Exchange-Broadened NMR Spectra

by Jean Musso, U. E. R. Science et Techniques Centre Universitaire, La Garde, France and Gilbert Torri and Marcel Azzaro, Laboratoire de Chimie Physique Organique, Institut Polytechnique Européen, Nice, France

DNMR3-IT2 is an iterative version of the program DNMR3 for the calculation of complex exchange-broadened NMR spectra [D. A. Kleier and G. Binsch, J. Magnetic Resonance, 3, 2, 146-160 (1970), QCPE 165]. Parameters are fitted using the Marquardt algorithm [D. W. Marquardt, J. Soc. Ind. App. Math., 11, 431-441 (1963), QCPE 307].

This program uses the automatic double-precision feature of the H-Extended compiler.

FORTRAN IV (IBM H-Extended) Lines of Code: 2249 Recommended Citation: J. Musso et al., QCPE 11, 356 (1978).


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