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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section08


140. DNMR: The Computation of Complex Exchange- Broadened NMR Spectra

by Gerhard Binsch and Daniel A. Kleier, Department of Chemistry and the Radiation Laboratory, University of Notre Dame, Notre Dame, Indiana 46556

DNMR simulates complex exchange-broadened NMR spectra from chemical shifts, coupling constants, relaxation time, rate constants, populations and certain scaling parameters. It may also be used for the "direct" calculation of high-resolution NMR spectra and for the computational treatment of non-trivial relaxation phenomena.

FORTRAN IV (for a 65K UNIVAC 1107) Lines of Code: 873 Recommended Citation: G. Binsch and D. A. Kleier, QCPE 11, 140 (1969).


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