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QCPE
THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE
Main / Catalog / Section12
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633. DNMR6: Calculation of NMR Spectra Subject to the
Effects of Chemical Exchange
by Jay H. Brown and C. Hackett Bushweller, Department
of Chemistry, University of Vermont, Burlington,
Vermont 05405-0125
DNMR6 is a program that calculates NMR spectra (I =
1/2) that are subject to the effects of chemical
exchange. DNMR6 is a conversion of DNMR4 (C. H.
Bushweller, L. J. Letendre, J.A. Brunelle, H. S.
Bilofsky, R. Whalon and S. H. Fleishman, QCPE 466) to
the VMS VAX FORTRAN 77 format. As of this submission,
DNMR6 is running on a VAX 4000 computer. DNMR6 retains
all the modifications of DNMR3 (D. A. Kleier and G.
Binsch, QCPE 165) that were incorporated into DNMR4.1
Included with DNMR6 is LORSHP. LORSHP is a program
that applies a Lorentzian shape to each resonance line
in the DNMR6 output data file and scales the
information for plotting on an HP 7550A or compatible
plotter. LORSHP is not a plotting program, but it can
be used in conjunction with plotting programs that run
on a personal computer.
_________
Reference:
1. QCPE Bulletin, 3, 103 (1983).
Lines of Code (DNMR6.FOR): 2231
Lines of Code (LORSHP.FOR): 183
FORTRAN 77 (VAX)
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