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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section08


519. DOKI77/DOKI78: NMR Spectra Simulation

by Gerhard Hägele and Wolfgang Kückelhaus, Institut für Anorganische Chemie und Strukturchemie I, Universität Düsseldorf, Universitätsstrasse 1, 4000 Düsseldorf, FRG

These programs calculate NMR spectra for A-, R- and X- nuclei in symmetric spin systems . In addition, , , and the and parts of systems can be handled.

Both programs produce Lorentzian spectra in the form of:

1. line-printer plots 2. data tables 3. graphical output (Calcomp).

FORTRAN 77 Lines of Code: 2675


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