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197. ESRCON: Least Squares Fitting of Isotropic Multiline
ESR Spectra
by J. Heinzer, Laboratory for Organic Chemistry, Eidgenössische TechnischeHochschule, Zürich, Switzerland The program ESRCON optimizes approximated or guessed ESR parameters such as coupling constants, scaling factors, and line widths, using the method of least squares. From the computed "best" parameters, an absorption curve is constructed and then compared directly with the experimental spectrum. In addition to various other constants, a digitalized spectrum, which may be obtained either "by hand" or electronically, is required as part of the input data. FORTRAN (UNIVAC 1108) Lines of Code: 910 Recommended Citation: J. Heinzer, QCPE 11, 197 (1970). |