THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by Paul J. Krusic, Central Research Department, Experimental Station, E. I. du Pont de Nemours and Company, Wilmington, Delaware 19898

This program calculates the ESR isotropic hyperfine structures, including second-order splittings, of free radicals in solution. It also calculates the first derivative of the absorption curve as a superposition of Lorentzian components.

The program calculates second-order splittings for up to three sets of spin 1/2. The remaining interactions are nuclei of arbitrary spins. Up to eight different couplings can be treated. The positions and the relative intensities of the hyperfine components are printed in the output. The coordinates of the absorption curve, scaled to match the experimental spectrum, however, are stored in two arrays which are the arguments of a dummy subroutine PLOT. The user must replace this subroutine with plotting routines in the library of his computer.

FORTRAN IV (UNIVAC 1108) Lines of Code: 313 Recommended Citation: P. J. Krusic, QCPE 11, 210 (1972).