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QCPE
THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE
Main / Catalog / Section08
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499. ISHTAR: Interactive System to Help the
Theoretical Approach to Relaxation
by Alain Allouche, Laboratoire de Méthodes
Spectroscopiques, Université de Provence, Centre de
Saint Jerôme, 13397 Marseille Cedex 13, France
ISHTAR is a completely interactive system designed to
obtain quantitative information about molecular
geometry and anisotropic rotational motion from dipole-
dipole spin lattice and quadrupolar relaxation within
the framework of the diffusion model.
As it makes use of other QCPE programs, the system
presents the more general capability of dealing with
problems encountered in a theoretical NMR study, i.e.,
defining, transforming and plotting molecular
coordinates, calculating spin-spin nuclear coupling
constants, and interactive preparation of input for
molecular programs.
FORTRAN 77 (VAX)
Lines of Code: 5700
Recommended Citation: S. M. Rothstein et al., QCPE 13,
392 (1981).
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