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QCPE
THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE
Main / Catalog / Section08
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470. DSYMPLOT: Program for the Simulation of NMR
Spectra in Isotropic and Aniso- tropic Phases Using
Chemical Equivalences in a General Way
by Winfried Boenigk and Gerhard Hägele, Institut für
Anorganische Chemie und Strukturchemie I der
Universität Düsseldorf, Universitätsstrasse 1, D-4000
Düsseldorf 1, FRG
DSYMPLOT is a program for the calculation of NMR
spectra from symmetric spin systems. The factorization
of the Hamiltonian matrix is optimized by group
theoretical treatment. DSYMPLOT tackles up to 10
single spins I = 1/2. This version can handle point
groups up to 10 classes and up to 12 symmetry
operations. DSYMPLOT takes into account spin-spin
couplings (J) and dipole-dipole couplings (D), thus
allowing NMR spectral simulations in the isotropic and
anisotropic phase. Documentation is in both English
and German.
FORTRAN IV (IBM-like)
Lines of Code: 1495
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